5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol

C10H18N4O — CID 106162981

IUPAC5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc(N)ncn1
InChIInChI=1S/C10H18N4O/c1-8(6-15)3-2-4-12-10-5-9(11)13-7-14-10/h5,7-8,15H,2-4,6H2,1H3,(H3,11,12,13,14)
InChIKeyCHIZCSNAJWGJPT-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.88
Rot. Bonds6

About 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol

5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 106162981) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID106162981
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc(N)ncn1
InChIInChI=1S/C10H18N4O/c1-8(6-15)3-2-4-12-10-5-9(11)13-7-14-10/h5,7-8,15H,2-4,6H2,1H3,(H3,11,12,13,14)
InChIKeyCHIZCSNAJWGJPT-UHFFFAOYSA-N
XLogP0.88
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-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

4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80816494
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163239
5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 103858567
5-[(6-hydrazinylpyrimidin-4-yl)amino]pentan-2-ol
CID 106138705
4-[(6-aminopyrimidin-4-yl)amino]pentan-1-ol
CID 80852295
5-[(6-amino-4-nitro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106163382
5-[(5-amino-6-ethoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 114150970
5-[(3-amino-5-bromo-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154564
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80839408
N-[2-[(6-aminopyrimidin-4-yl)amino]ethyl]acetamide
CID 79006981

Frequently Asked Questions

What is the IUPAC name of 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 106162981) is 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol is CC(CO)CCCNc1cc(N)ncn1.
What is the InChIKey of 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is CHIZCSNAJWGJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8(6-15)3-2-4-12-10-5-9(11)13-7-14-10/h5,7-8,15H,2-4,6H2,1H3,(H3,11,12,13,14).
What are the key properties of 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol?
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106162981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).