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

C9H15ClN4O — CID 79880069

IUPAC2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4O/c1-3-9(2,5-15)14-7-4-6(10)12-8(11)13-7/h4,15H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyBQZXFYDKMFVBQL-UHFFFAOYSA-N
MW230.70 g/mol
LogP1.29
Rot. Bonds4

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

2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol (PubChem CID 79880069) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
PubChem CID79880069
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1cc(Cl)nc(N)n1
InChIInChI=1S/C9H15ClN4O/c1-3-9(2,5-15)14-7-4-6(10)12-8(11)13-7/h4,15H,3,5H2,1-2H3,(H3,11,12,13,14)
InChIKeyBQZXFYDKMFVBQL-UHFFFAOYSA-N
XLogP1.29
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol (CID 79880069) is 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1cc(Cl)nc(N)n1.
What is the InChIKey of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
The InChIKey is BQZXFYDKMFVBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-3-9(2,5-15)14-7-4-6(10)12-8(11)13-7/h4,15H,3,5H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol?
2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol has a molecular weight of 230.70 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-chloropyrimidin-4-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 79880069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).