2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol

C10H16ClN3O — CID 130913826

IUPAC2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)(CO)Nc1cc(Cl)ncn1
InChIInChI=1S/C10H16ClN3O/c1-7(2)10(3,5-15)14-9-4-8(11)12-6-13-9/h4,6-7,15H,5H2,1-3H3,(H,12,13,14)
InChIKeyCNBFPVBAXSCGHY-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.95
Rot. Bonds4

About 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol

2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol (PubChem CID 130913826) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol
PubChem CID130913826
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)(CO)Nc1cc(Cl)ncn1
InChIInChI=1S/C10H16ClN3O/c1-7(2)10(3,5-15)14-9-4-8(11)12-6-13-9/h4,6-7,15H,5H2,1-3H3,(H,12,13,14)
InChIKeyCNBFPVBAXSCGHY-UHFFFAOYSA-N
XLogP1.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol?
The IUPAC name of 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol (CID 130913826) is 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol?
The canonical SMILES for 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol is CC(C)C(C)(CO)Nc1cc(Cl)ncn1.
What is the InChIKey of 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol?
The InChIKey is CNBFPVBAXSCGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-7(2)10(3,5-15)14-9-4-8(11)12-6-13-9/h4,6-7,15H,5H2,1-3H3,(H,12,13,14).
What are the key properties of 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol?
2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol has a molecular weight of 229.71 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrimidin-4-yl)amino]-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 130913826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).