4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine

C22H24ClFN6 — CID 123237278

IUPAC4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3nc(NCc4cccc(F)c4)ncc3Cl)ccn2)CC1
InChIInChI=1S/C22H24ClFN6/c23-19-13-28-22(27-12-14-2-1-3-16(24)10-14)30-21(19)15-8-9-26-20(11-15)29-18-6-4-17(25)5-7-18/h1-3,8-11,13,17-18H,4-7,12,25H2,(H,26,29)(H,27,28,30)
InChIKeyBMYXRAYQAQFHRE-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.62
Rot. Bonds6

About 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine

4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine (PubChem CID 123237278) has the molecular formula C22H24ClFN6 and a molecular weight of 426.93 g/mol. Its IUPAC name is 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine
PubChem CID123237278
Molecular FormulaC22H24ClFN6
Molecular Weight426.93 g/mol
Exact Mass426.17
IUPAC Name4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2cc(-c3nc(NCc4cccc(F)c4)ncc3Cl)ccn2)CC1
InChIInChI=1S/C22H24ClFN6/c23-19-13-28-22(27-12-14-2-1-3-16(24)10-14)30-21(19)15-8-9-26-20(11-15)29-18-6-4-17(25)5-7-18/h1-3,8-11,13,17-18H,4-7,12,25H2,(H,26,29)(H,27,28,30)
InChIKeyBMYXRAYQAQFHRE-UHFFFAOYSA-N
XLogP4.62
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

4-N-[4-[4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 88919446
4-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 67691819
4-N-[5-chloro-4-[2-(3-methylbutylamino)-4-pyridinyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 123154364
4-N-[5-chloro-4-[2-fluoro-5-[(3-fluorophenyl)methylamino]phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 67691259
4-N-[4-[2-ethyl-3-[(3-fluorophenyl)methylamino]-5-(trifluoromethyl)phenyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 123884019
4-N-[5-chloro-4-[2-[(4-chlorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-[(2,3-difluorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-[(2,4-difluorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 173468591
5-chloro-N-cyclopropyl-4-[5-[(3-fluorophenyl)methylamino]-3-pyridinyl]pyridin-2-amine
CID 67641420
4-N-[5-chloro-4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[5-chloro-4-[2-(pyridin-3-ylmethylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine;4-N-[4-[2-(2-methylpropylamino)-4-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 88919450
5-chloro-4-[2-[(3,4-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3,5-difluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-4-[2-[(3-fluorophenyl)methylamino]-4-pyridinyl]-N-piperidin-4-ylpyridin-2-amine;5-chloro-N-piperidin-4-yl-4-[2-(pyridin-4-ylmethylamino)-4-pyridinyl]pyridin-2-amine
CID 173468588
4-N-[4-[5-[(3-fluorophenyl)methylamino]-6,7-dimethyl-3-(trifluoromethyl)cyclohepta-1,3-dien-1-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 123364146
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(oxan-4-yl)pyridin-2-amine
CID 70794022
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]-2-methylcyclohexane-1,4-diamine
CID 77460758

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine (CID 123237278) is 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine is NC1CCC(Nc2cc(-c3nc(NCc4cccc(F)c4)ncc3Cl)ccn2)CC1.
What is the InChIKey of 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
The InChIKey is BMYXRAYQAQFHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN6/c23-19-13-28-22(27-12-14-2-1-3-16(24)10-14)30-21(19)15-8-9-26-20(11-15)29-18-6-4-17(25)5-7-18/h1-3,8-11,13,17-18H,4-7,12,25H2,(H,26,29)(H,27,28,30).
What are the key properties of 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine?
4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine has a molecular weight of 426.93 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[5-chloro-2-[(3-fluorophenyl)methylamino]pyrimidin-4-yl]-2-pyridinyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 123237278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).