[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol

C11H16ClN3O2 — CID 106300524

IUPAC[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCc1nc(Cl)cc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C11H16ClN3O2/c1-8-13-9(12)6-10(14-8)15-11(7-16)2-4-17-5-3-11/h6,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyIBFCGBKRLDLZTC-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.39
Rot. Bonds3

About [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol

[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol (PubChem CID 106300524) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
PubChem CID106300524
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol
SMILESCc1nc(Cl)cc(NC2(CO)CCOCC2)n1
InChIInChI=1S/C11H16ClN3O2/c1-8-13-9(12)6-10(14-8)15-11(7-16)2-4-17-5-3-11/h6,16H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyIBFCGBKRLDLZTC-UHFFFAOYSA-N
XLogP1.39
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(2,6-dimethylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 114170393
[4-[(4-amino-6-chloro-2-pyridinyl)amino]oxan-4-yl]methanol
CID 114169989
[1-[(2,6-dimethylpyrimidin-4-yl)amino]cyclobutyl]methanol
CID 115899064
6-chloro-2-methyl-N-(3-methyloxan-3-yl)pyrimidin-4-amine
CID 103895836
[4-[[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301181
N-[4-(aminomethyl)oxan-4-yl]-6-ethoxy-2-methylpyrimidin-4-amine
CID 106298125
[4-[[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301218
[4-[(6-amino-2-propylpyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106301136
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 80950899
[1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-methylcyclohexyl]methanol
CID 80951495
[4-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]oxan-4-yl]methanol
CID 106301120
[4-[[3-(3,4-dimethylphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-5-yl]amino]oxan-4-yl]methanol
CID 144626299

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The IUPAC name of [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol (CID 106300524) is [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol.
What is the SMILES notation for [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The canonical SMILES for [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol is Cc1nc(Cl)cc(NC2(CO)CCOCC2)n1.
What is the InChIKey of [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
The InChIKey is IBFCGBKRLDLZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-8-13-9(12)6-10(14-8)15-11(7-16)2-4-17-5-3-11/h6,16H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol?
[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol has a molecular weight of 257.72 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-2-methylpyrimidin-4-yl)amino]oxan-4-yl]methanol is sourced from PubChem (CID 106300524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).