4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine

C14H22N6O — CID 82455220

IUPAC4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCC(C)COc1ncnc(NCCCn2ccnc2)c1N
InChIInChI=1S/C14H22N6O/c1-11(2)8-21-14-12(15)13(18-9-19-14)17-4-3-6-20-7-5-16-10-20/h5,7,9-11H,3-4,6,8,15H2,1-2H3,(H,17,18,19)
InChIKeyQMDOCLNCBZJIFT-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.79
Rot. Bonds8

About 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine

4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine (PubChem CID 82455220) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
PubChem CID82455220
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine
SMILESCC(C)COc1ncnc(NCCCn2ccnc2)c1N
InChIInChI=1S/C14H22N6O/c1-11(2)8-21-14-12(15)13(18-9-19-14)17-4-3-6-20-7-5-16-10-20/h5,7,9-11H,3-4,6,8,15H2,1-2H3,(H,17,18,19)
InChIKeyQMDOCLNCBZJIFT-UHFFFAOYSA-N
XLogP1.79
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.79
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-N-(3-imidazol-1-ylpropyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152530
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-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
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
2-cyclopropyl-6-ethoxy-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5-diamine
CID 82456253
4-N-butan-2-yl-6-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidine-4,6-diamine
CID 22538928
N'-[5-amino-6-(3-imidazol-1-ylpropylamino)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19151497
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

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine (CID 82455220) is 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine is CC(C)COc1ncnc(NCCCn2ccnc2)c1N.
What is the InChIKey of 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
The InChIKey is QMDOCLNCBZJIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11(2)8-21-14-12(15)13(18-9-19-14)17-4-3-6-20-7-5-16-10-20/h5,7,9-11H,3-4,6,8,15H2,1-2H3,(H,17,18,19).
What are the key properties of 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine?
4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine has a molecular weight of 290.37 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-imidazol-1-ylpropyl)-6-(2-methylpropoxy)pyrimidine-4,5-diamine is sourced from PubChem (CID 82455220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).