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

C10H17ClN4O — CID 103858567

IUPAC5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4O/c1-7(6-16)3-2-4-13-9-5-8(11)14-10(12)15-9/h5,7,16H,2-4,6H2,1H3,(H3,12,13,14,15)
InChIKeyXDPRRSQIDKNGHF-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.53
Rot. Bonds6

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

5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol (PubChem CID 103858567) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
PubChem CID103858567
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C10H17ClN4O/c1-7(6-16)3-2-4-13-9-5-8(11)14-10(12)15-9/h5,7,16H,2-4,6H2,1H3,(H3,12,13,14,15)
InChIKeyXDPRRSQIDKNGHF-UHFFFAOYSA-N
XLogP1.53
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[(2-amino-6-chloropyrimidin-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

5-[(4-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 104925080
5-[(2-amino-6-chloropyrimidin-4-yl)amino]pentan-2-ol
CID 107269286
5-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162556
5-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162555
5-[[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106162537
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
5-[(6-aminopyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162981
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]pentan-2-ol
CID 106137297
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
5-[(6-chloro-2-methylpyrimidin-4-yl)amino]pentan-2-ol
CID 107269267
5-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]-2-methylpentan-1-ol
CID 106163373
5-(2-amino-4-chloroanilino)-2-methylpentan-1-ol
CID 106154375

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol (CID 103858567) is 5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol is CC(CO)CCCNc1cc(Cl)nc(N)n1.
What is the InChIKey of 5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol?
The InChIKey is XDPRRSQIDKNGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-7(6-16)3-2-4-13-9-5-8(11)14-10(12)15-9/h5,7,16H,2-4,6H2,1H3,(H3,12,13,14,15).
What are the key properties of 5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol?
5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol has a molecular weight of 244.73 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 103858567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).