1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

C11H18ClN3O — CID 106293545

IUPAC1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(C)nc(Cl)n1
InChIInChI=1S/C11H18ClN3O/c1-4-5-11(3,16)7-13-9-6-8(2)14-10(12)15-9/h6,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyOPAXZQFMBHTASH-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.40
Rot. Bonds5

About 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol

1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 106293545) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID106293545
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(C)nc(Cl)n1
InChIInChI=1S/C11H18ClN3O/c1-4-5-11(3,16)7-13-9-6-8(2)14-10(12)15-9/h6,16H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyOPAXZQFMBHTASH-UHFFFAOYSA-N
XLogP2.40
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 106293545) is 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(C)nc(Cl)n1.
What is the InChIKey of 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is OPAXZQFMBHTASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O/c1-4-5-11(3,16)7-13-9-6-8(2)14-10(12)15-9/h6,16H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 243.74 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106293545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).