1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

C13H24N4O — CID 114169930

IUPAC1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCc1nc(N)cc(NCC(C)(O)CCC)n1
InChIInChI=1S/C13H24N4O/c1-4-6-11-16-10(14)8-12(17-11)15-9-13(3,18)7-5-2/h8,18H,4-7,9H2,1-3H3,(H3,14,15,16,17)
InChIKeyMRSXJQJAPKJLQG-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.97
Rot. Bonds7

About 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 114169930) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID114169930
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCc1nc(N)cc(NCC(C)(O)CCC)n1
InChIInChI=1S/C13H24N4O/c1-4-6-11-16-10(14)8-12(17-11)15-9-13(3,18)7-5-2/h8,18H,4-7,9H2,1-3H3,(H3,14,15,16,17)
InChIKeyMRSXJQJAPKJLQG-UHFFFAOYSA-N
XLogP1.97
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol 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

1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169928
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159526
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256542
3-[(6-amino-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80954273
1-[[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 106296318
6-hydrazinyl-2-propylpyrimidin-4-amine
CID 80947336
3-[[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 80950175
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780
1-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106249072
2-propyl-4-N-(2,4,4-trimethylpentan-2-yl)pyrimidine-4,6-diamine
CID 80955169
2-[(6-amino-2-propylpyrimidin-4-yl)amino]ethylurea
CID 83118298
2-propylpyrimidine-4,6-diamine
CID 67304918

Frequently Asked Questions

What is the IUPAC name of 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 114169930) is 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCc1nc(N)cc(NCC(C)(O)CCC)n1.
What is the InChIKey of 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is MRSXJQJAPKJLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-6-11-16-10(14)8-12(17-11)15-9-13(3,18)7-5-2/h8,18H,4-7,9H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-amino-2-propylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 114169930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).