4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

C13H24N6O — CID 19138195

IUPAC4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCOCCCNc1ncnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C13H24N6O/c1-18-5-7-19(8-6-18)13-11(14)12(16-10-17-13)15-4-3-9-20-2/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyOYOBYAPSNUKKEX-UHFFFAOYSA-N
MW280.38 g/mol
LogP0.26
Rot. Bonds6

About 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine

4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (PubChem CID 19138195) has the molecular formula C13H24N6O and a molecular weight of 280.38 g/mol. Its IUPAC name is 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
PubChem CID19138195
Molecular FormulaC13H24N6O
Molecular Weight280.38 g/mol
Exact Mass280.20
IUPAC Name4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
SMILESCOCCCNc1ncnc(N2CCN(C)CC2)c1N
InChIInChI=1S/C13H24N6O/c1-18-5-7-19(8-6-18)13-11(14)12(16-10-17-13)15-4-3-9-20-2/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyOYOBYAPSNUKKEX-UHFFFAOYSA-N
XLogP0.26
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 50.26
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-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138287
4-N-(2-methoxyethyl)-6-(4-phenylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19138606
6-(4-methylpiperazin-1-yl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5-diamine
CID 19138308
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 22541609
6-(4-benzhydrylpiperazin-1-yl)-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19139653
6-N-(3-imidazol-1-ylpropyl)-4-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 19144273
4-N-(3-methoxypropyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)pyrimidine-4,5-diamine
CID 19140775
methyl 1-[5-amino-6-(hexadecylamino)pyrimidin-4-yl]piperidine-4-carboxylate
CID 19142484
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
6-(4-benzhydrylpiperazin-1-yl)-4-N-butylpyrimidine-4,5-diamine
CID 19134793
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methoxypropyl)-5-nitropyrimidin-4-amine
CID 22526499
6-(4-methylpiperazin-1-yl)-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19138216

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine (CID 19138195) is 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is COCCCNc1ncnc(N2CCN(C)CC2)c1N.
What is the InChIKey of 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
The InChIKey is OYOBYAPSNUKKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O/c1-18-5-7-19(8-6-18)13-11(14)12(16-10-17-13)15-4-3-9-20-2/h10H,3-9,14H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine?
4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine has a molecular weight of 280.38 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).