4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine

C15H17ClN8 — CID 19154198

IUPAC4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCCn2ccnc2)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H17ClN8/c16-13-11(3-1-4-19-13)23-15-12(17)14(21-9-22-15)20-5-2-7-24-8-6-18-10-24/h1,3-4,6,8-10H,2,5,7,17H2,(H2,20,21,22,23)
InChIKeyPZAMNLWUJWMJRG-UHFFFAOYSA-N
MW344.81 g/mol
LogP2.55
Rot. Bonds7

About 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine

4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine (PubChem CID 19154198) has the molecular formula C15H17ClN8 and a molecular weight of 344.81 g/mol. Its IUPAC name is 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
PubChem CID19154198
Molecular FormulaC15H17ClN8
Molecular Weight344.81 g/mol
Exact Mass344.13
IUPAC Name4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
SMILESNc1c(NCCCn2ccnc2)ncnc1Nc1cccnc1Cl
InChIInChI=1S/C15H17ClN8/c16-13-11(3-1-4-19-13)23-15-12(17)14(21-9-22-15)20-5-2-7-24-8-6-18-10-24/h1,3-4,6,8-10H,2,5,7,17H2,(H2,20,21,22,23)
InChIKeyPZAMNLWUJWMJRG-UHFFFAOYSA-N
XLogP2.55
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
4-N-(1,3-benzothiazol-2-yl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19146041
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539915
6-N-(3-imidazol-1-ylpropyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154120
4-N-(3-imidazol-1-ylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152530
4-N-(2-chloro-3-pyridinyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19154358
6-chloro-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine
CID 23477420
4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455220
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2,4-dichlorobenzohydrazide
CID 19151722

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine (CID 19154198) is 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine is Nc1c(NCCCn2ccnc2)ncnc1Nc1cccnc1Cl.
What is the InChIKey of 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine?
The InChIKey is PZAMNLWUJWMJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN8/c16-13-11(3-1-4-19-13)23-15-12(17)14(21-9-22-15)20-5-2-7-24-8-6-18-10-24/h1,3-4,6,8-10H,2,5,7,17H2,(H2,20,21,22,23).
What are the key properties of 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine?
4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine has a molecular weight of 344.81 g/mol, XLogP of 2.55, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19154198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).