5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol

C13H24N4O — CID 114148658

IUPAC5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1ncnc(NCCCC(C)O)c1C
InChIInChI=1S/C13H24N4O/c1-4-7-14-12-11(3)13(17-9-16-12)15-8-5-6-10(2)18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyDLBKAIZXUSMWGZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.18
Rot. Bonds8

About 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol

5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol (PubChem CID 114148658) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol.

Molecular Properties

Compound Name5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
PubChem CID114148658
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
SMILESCCCNc1ncnc(NCCCC(C)O)c1C
InChIInChI=1S/C13H24N4O/c1-4-7-14-12-11(3)13(17-9-16-12)15-8-5-6-10(2)18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17)
InChIKeyDLBKAIZXUSMWGZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-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

5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837
4-N-butan-2-yl-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80765737
5-methyl-4-N-(5-methylhexan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80838810
5-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138738
6-N,5-dimethyl-4-N-(4-methylpentyl)pyrimidine-4,6-diamine
CID 80831901
5-[(5-bromo-6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138742
5-[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138739
5-methyl-4-N-(2-methylbutan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80767962
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
4-N,5-dimethyl-4-N-pentan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80792963
4-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80783060
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424

Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The IUPAC name of 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol (CID 114148658) is 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol.
What is the SMILES notation for 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The canonical SMILES for 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol is CCCNc1ncnc(NCCCC(C)O)c1C.
What is the InChIKey of 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
The InChIKey is DLBKAIZXUSMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-7-14-12-11(3)13(17-9-16-12)15-8-5-6-10(2)18/h9-10,18H,4-8H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol?
5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-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 5-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol is sourced from PubChem (CID 114148658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).