4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine

C12H23N5 — CID 80753696

IUPAC4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC(C)C(C)C)nc(N)n1
InChIInChI=1S/C12H23N5/c1-5-6-14-10-7-11(17-12(13)16-10)15-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H4,13,14,15,16,17)
InChIKeyQBOZOXJQYFMTFH-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.34
Rot. Bonds6

About 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80753696) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80753696
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(NC(C)C(C)C)nc(N)n1
InChIInChI=1S/C12H23N5/c1-5-6-14-10-7-11(17-12(13)16-10)15-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H4,13,14,15,16,17)
InChIKeyQBOZOXJQYFMTFH-UHFFFAOYSA-N
XLogP2.34
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3-ethylpentan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80846411
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
4-N-[1-(2-methylphenyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80783031
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80850604
(2R)-2-[[2-amino-6-(butylamino)pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 122050723
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80772094
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
6-N,2-diethyl-4-N-(3-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80933317
4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 113479527

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80753696) is 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(NC(C)C(C)C)nc(N)n1.
What is the InChIKey of 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is QBOZOXJQYFMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-5-6-14-10-7-11(17-12(13)16-10)15-9(4)8(2)3/h7-9H,5-6H2,1-4H3,(H4,13,14,15,16,17).
What are the key properties of 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 237.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylbutan-2-yl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80753696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).