N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine

C22H22ClN7 — CID 24991254

IUPACN-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)ccnc1NCCCn1ccnc1
InChIInChI=1S/C22H22ClN7/c1-16-19(6-9-26-21(16)25-8-3-12-30-13-11-24-15-30)20-7-10-27-22(29-20)28-18-5-2-4-17(23)14-18/h2,4-7,9-11,13-15H,3,8,12H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyAZYAPTCAEGBEPK-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.94
Rot. Bonds8

About N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine

N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine (PubChem CID 24991254) has the molecular formula C22H22ClN7 and a molecular weight of 419.92 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine
PubChem CID24991254
Molecular FormulaC22H22ClN7
Molecular Weight419.92 g/mol
Exact Mass419.16
IUPAC NameN-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine
SMILESCc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)ccnc1NCCCn1ccnc1
InChIInChI=1S/C22H22ClN7/c1-16-19(6-9-26-21(16)25-8-3-12-30-13-11-24-15-30)20-7-10-27-22(29-20)28-18-5-2-4-17(23)14-18/h2,4-7,9-11,13-15H,3,8,12H2,1H3,(H,25,26)(H,27,28,29)
InChIKeyAZYAPTCAEGBEPK-UHFFFAOYSA-N
XLogP4.94
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-3-methyl-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990163
N'-[4-[2-(3-chloroanilino)pyrimidin-4-yl]-3-methyl-2-pyridinyl]-N,N'-dimethylpropane-1,3-diamine
CID 24990525
N'-[3-[2-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]ethane-1,2-diamine
CID 24986837
N-(3-imidazol-1-ylpropyl)-4-methylpyrimidin-2-amine
CID 62960707
N-(3-chlorophenyl)-4-(3-methylimidazol-4-yl)pyrimidin-2-amine
CID 22273498
N-[3-[[4-[2-(3-chloroanilino)pyrimidin-4-yl]-2-(methylamino)-3-pyridinyl]amino]propyl]acetamide
CID 59200669
4-(3-amino-4-pyridinyl)-N-(3-chlorophenyl)pyrimidin-2-amine
CID 24990162
N-(3-chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 11957767
CID 89325166
CID 89325166
4-[3-(2-aminoethyl)imidazol-4-yl]-N-(3-chlorophenyl)pyrimidin-2-amine
CID 22273481
2-[4-[2-(3-chloroanilino)pyrimidin-4-yl]indol-1-yl]-N,N-dimethylacetamide
CID 24961036
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine (CID 24991254) is N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine is Cc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)ccnc1NCCCn1ccnc1.
What is the InChIKey of N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine?
The InChIKey is AZYAPTCAEGBEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7/c1-16-19(6-9-26-21(16)25-8-3-12-30-13-11-24-15-30)20-7-10-27-22(29-20)28-18-5-2-4-17(23)14-18/h2,4-7,9-11,13-15H,3,8,12H2,1H3,(H,25,26)(H,27,28,29).
What are the key properties of N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine?
N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine has a molecular weight of 419.92 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-[2-(3-imidazol-1-ylpropylamino)-3-methyl-4-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 24991254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).