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

C11H18ClN3O2 — CID 106293481

IUPAC1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ncnc(Cl)c1OC
InChIInChI=1S/C11H18ClN3O2/c1-4-5-11(2,16)6-13-10-8(17-3)9(12)14-7-15-10/h7,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyWZPQNYBOKKDZEX-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.10
Rot. Bonds6

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

1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 106293481) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID106293481
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1ncnc(Cl)c1OC
InChIInChI=1S/C11H18ClN3O2/c1-4-5-11(2,16)6-13-10-8(17-3)9(12)14-7-15-10/h7,16H,4-6H2,1-3H3,(H,13,14,15)
InChIKeyWZPQNYBOKKDZEX-UHFFFAOYSA-N
XLogP2.10
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(2-ethoxy-2-methylpropyl)-5-methoxypyrimidin-4-amine
CID 114943689
2-methyl-1-(quinazolin-4-ylamino)pentan-2-ol
CID 113234742
6-chloro-5-methoxy-N-(3-methylpentan-3-yl)pyrimidin-4-amine
CID 106330892
1-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]-2-methylpentan-2-ol
CID 114169936
1-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 114169732
1-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257270
1-[(6-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 104917606
5-[(6-chloro-5-methoxypyrimidin-4-yl)amino]pentan-1-ol
CID 107318311
1-[(6-methoxyisoquinolin-1-yl)amino]-2-methylpentan-2-ol
CID 106290621
6-chloro-N-(2-ethylhexyl)-5-methoxypyrimidin-4-amine
CID 107817622
[1-[[(6-chloro-5-methoxypyrimidin-4-yl)amino]methyl]cyclopropyl]methanol
CID 115455244
6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405714

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 106293481) is 1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1ncnc(Cl)c1OC.
What is the InChIKey of 1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is WZPQNYBOKKDZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-4-5-11(2,16)6-13-10-8(17-3)9(12)14-7-15-10/h7,16H,4-6H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 259.74 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-5-methoxypyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106293481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).