4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol

C13H24N4O — CID 80852528

IUPAC4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCNc1cc(NC(C)CCCO)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-4-7-14-12-9-13(17-11(3)16-12)15-10(2)6-5-8-18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyKBDIZGVIZSPYPP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.18
Rot. Bonds8

About 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol

4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol (PubChem CID 80852528) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
PubChem CID80852528
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
SMILESCCCNc1cc(NC(C)CCCO)nc(C)n1
InChIInChI=1S/C13H24N4O/c1-4-7-14-12-9-13(17-11(3)16-12)15-10(2)6-5-8-18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyKBDIZGVIZSPYPP-UHFFFAOYSA-N
XLogP2.18
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-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

3-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180781
4-[[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol
CID 80852755
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 106772532
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
2-tert-butyl-4-N-hexan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967541
2-tert-butyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955654
4-[(4,6-dimethyl-2-pyridinyl)amino]pentan-1-ol
CID 115976030
3-[[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80966847
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]butan-1-ol
CID 106846982
4-N-butan-2-yl-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112868226
2-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 80800955

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The IUPAC name of 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol (CID 80852528) is 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol.
What is the SMILES notation for 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The canonical SMILES for 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol is CCCNc1cc(NC(C)CCCO)nc(C)n1.
What is the InChIKey of 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
The InChIKey is KBDIZGVIZSPYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-7-14-12-9-13(17-11(3)16-12)15-10(2)6-5-8-18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol?
4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-1-ol is sourced from PubChem (CID 80852528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).