1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol

C11H19ClN4O — CID 113498154

IUPAC1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
SMILESCCNc1ncc(Cl)c(NCCC(O)CC)n1
InChIInChI=1S/C11H19ClN4O/c1-3-8(17)5-6-14-10-9(12)7-15-11(16-10)13-4-2/h7-8,17H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyWVDFSWBZLOPVDK-UHFFFAOYSA-N
MW258.75 g/mol
LogP2.13
Rot. Bonds7

About 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol

1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol (PubChem CID 113498154) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol.

Molecular Properties

Compound Name1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
PubChem CID113498154
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol
SMILESCCNc1ncc(Cl)c(NCCC(O)CC)n1
InChIInChI=1S/C11H19ClN4O/c1-3-8(17)5-6-14-10-9(12)7-15-11(16-10)13-4-2/h7-8,17H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyWVDFSWBZLOPVDK-UHFFFAOYSA-N
XLogP2.13
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol?
The IUPAC name of 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol (CID 113498154) is 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol.
What is the SMILES notation for 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol?
The canonical SMILES for 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol is CCNc1ncc(Cl)c(NCCC(O)CC)n1.
What is the InChIKey of 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol?
The InChIKey is WVDFSWBZLOPVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-3-8(17)5-6-14-10-9(12)7-15-11(16-10)13-4-2/h7-8,17H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol?
1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol has a molecular weight of 258.75 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-3-ol is sourced from PubChem (CID 113498154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).