4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine

C18H25ClN6 — CID 126558497

IUPAC4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCn1ncc(-c2nc(NC3CCC(N)CC3)ncc2Cl)c1CC1CC1
InChIInChI=1S/C18H25ClN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24)
InChIKeyRVZJFCNYSSUDCU-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.16
Rot. Bonds5

About 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine

4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 126558497) has the molecular formula C18H25ClN6 and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID126558497
Molecular FormulaC18H25ClN6
Molecular Weight360.89 g/mol
Exact Mass360.18
IUPAC Name4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESCn1ncc(-c2nc(NC3CCC(N)CC3)ncc2Cl)c1CC1CC1
InChIInChI=1S/C18H25ClN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24)
InChIKeyRVZJFCNYSSUDCU-UHFFFAOYSA-N
XLogP3.16
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

Casein Kinase inhibitor A86
CID 134812748
4-Chloranyl-6-[4-[(3-fluorophenyl)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-amine
CID 164625671
Cyclohexyl-[4-(3-isopropyl-1H-pyrazol-4-yl)-pyrimidin-2-yl]-amine
CID 49839968
[4-(3-Isopropyl-1H-pyrazol-4-yl)-5-methyl-pyrimidin-2-yl]-(1-methyl-piperidin-4-yl)-amine
CID 49840033
4-Chloro-6-[4-[(2-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164616334
4-Chloro-6-[4-[(4-fluorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 164618782
4-(4-Benzyl-1-methylpyrazol-3-yl)-6-chloropyrimidin-2-amine
CID 164626130
4-Chloro-6-[4-[(3-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101462
4-Chloro-6-[4-[(2-chlorophenyl)methyl]-1-methylpyrazol-3-yl]pyrimidin-2-amine
CID 166101607
4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-isopropylpyrimidin-2-amine
CID 44591675
4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclopropylpyrimidin-2-amine
CID 44591676
4-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-N-cyclohexylpyrimidin-2-amine
CID 44591677

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine (CID 126558497) is 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine is Cn1ncc(-c2nc(NC3CCC(N)CC3)ncc2Cl)c1CC1CC1.
What is the InChIKey of 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is RVZJFCNYSSUDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24).
What are the key properties of 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 360.89 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-chloro-4-[5-(cyclopropylmethyl)-1-methylpyrazol-4-yl]pyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 126558497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).