5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol

C13H24N4O — CID 114148682

IUPAC5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCc1c(N)nc(C(C)C)nc1NCCCC(C)O
InChIInChI=1S/C13H24N4O/c1-8(2)12-16-11(14)10(4)13(17-12)15-7-5-6-9(3)18/h8-9,18H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeyLGGQOQFMUFJSPI-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.06
Rot. Bonds6

About 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol

5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 114148682) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
PubChem CID114148682
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
SMILESCc1c(N)nc(C(C)C)nc1NCCCC(C)O
InChIInChI=1S/C13H24N4O/c1-8(2)12-16-11(14)10(4)13(17-12)15-7-5-6-9(3)18/h8-9,18H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeyLGGQOQFMUFJSPI-UHFFFAOYSA-N
XLogP2.06
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-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

4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 80991783
4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanamide
CID 80993947
5-[(6-amino-2-tert-butyl-5-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138122
ethyl 4-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]butanoate
CID 80984350
3-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80983114
4-[[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]butan-2-ol
CID 80992534
4-N-(2-ethoxyethyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80994078
2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 106343135
5-methyl-2-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80982944
4-N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984374
5-[(6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163644
4-N-tert-butyl-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80976699

Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol (CID 114148682) is 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol is Cc1c(N)nc(C(C)C)nc1NCCCC(C)O.
What is the InChIKey of 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is LGGQOQFMUFJSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)12-16-11(14)10(4)13(17-12)15-7-5-6-9(3)18/h8-9,18H,5-7H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol?
5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 252.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 114148682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).