6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine

C14H23N7O — CID 19144273

IUPAC6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
SMILESCOCCCNc1ncnc(NCCCn2ccnc2)c1N
InChIInChI=1S/C14H23N7O/c1-22-9-3-5-18-14-12(15)13(19-10-20-14)17-4-2-7-21-8-6-16-11-21/h6,8,10-11H,2-5,7,9,15H2,1H3,(H2,17,18,19,20)
InChIKeyHBXMEFYCKHPYCF-UHFFFAOYSA-N
MW305.39 g/mol
LogP1.21
Rot. Bonds10

About 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine

6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine (PubChem CID 19144273) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
PubChem CID19144273
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
SMILESCOCCCNc1ncnc(NCCCn2ccnc2)c1N
InChIInChI=1S/C14H23N7O/c1-22-9-3-5-18-14-12(15)13(19-10-20-14)17-4-2-7-21-8-6-16-11-21/h6,8,10-11H,2-5,7,9,15H2,1H3,(H2,17,18,19,20)
InChIKeyHBXMEFYCKHPYCF-UHFFFAOYSA-N
XLogP1.21
TPSA102.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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-(3-imidazol-1-ylpropyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 19154120
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
4-N-(3-imidazol-1-ylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152530
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-methoxybenzohydrazide
CID 19151497
4-N-ethyl-6-N-(3-imidazol-1-ylpropyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 22539915
4-N-(2-chloro-3-pyridinyl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154198
N-(4-imidazol-1-ylbutyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106565958
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431937
4-N-(2-imidazol-1-ylethyl)-5-methylpyrimidine-4,6-diamine
CID 80808824
4-N-(1,3-benzothiazol-2-yl)-6-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19146041

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine (CID 19144273) is 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine is COCCCNc1ncnc(NCCCn2ccnc2)c1N.
What is the InChIKey of 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine?
The InChIKey is HBXMEFYCKHPYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-22-9-3-5-18-14-12(15)13(19-10-20-14)17-4-2-7-21-8-6-16-11-21/h6,8,10-11H,2-5,7,9,15H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine?
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine has a molecular weight of 305.39 g/mol, XLogP of 1.21, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19144273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).