3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol

C16H19N3O2 — CID 136582865

IUPAC3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol
SMILESCOc1ccc(-c2ccnc(NC3CC(C)(O)C3)n2)cc1
InChIInChI=1S/C16H19N3O2/c1-16(20)9-12(10-16)18-15-17-8-7-14(19-15)11-3-5-13(21-2)6-4-11/h3-8,12,20H,9-10H2,1-2H3,(H,17,18,19)
InChIKeyQUXSDKCJPGOFBK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.48
Rot. Bonds4

About 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol

3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol (PubChem CID 136582865) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol
PubChem CID136582865
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol
SMILESCOc1ccc(-c2ccnc(NC3CC(C)(O)C3)n2)cc1
InChIInChI=1S/C16H19N3O2/c1-16(20)9-12(10-16)18-15-17-8-7-14(19-15)11-3-5-13(21-2)6-4-11/h3-8,12,20H,9-10H2,1-2H3,(H,17,18,19)
InChIKeyQUXSDKCJPGOFBK-UHFFFAOYSA-N
XLogP2.48
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol (CID 136582865) is 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol is COc1ccc(-c2ccnc(NC3CC(C)(O)C3)n2)cc1.
What is the InChIKey of 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol?
The InChIKey is QUXSDKCJPGOFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(20)9-12(10-16)18-15-17-8-7-14(19-15)11-3-5-13(21-2)6-4-11/h3-8,12,20H,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol?
3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol has a molecular weight of 285.35 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 136582865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).