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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Related Compounds

4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
CID 167788437
2-[ethyl-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclobutyl]amino]acetic acid
CID 122061635
1-[4-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]cyclohexyl]pyrrolidin-2-one
CID 166271542
N-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
CID 73139550
N-[(3S,3aR,6S,6aR)-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-methoxybenzamide
CID 11912001
N-[(3S,3aR,6S,6aR)-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]methanesulfonamide
CID 11912824
N-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]methanesulfonamide
CID 73139560
2-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-3-methylbutan-1-ol
CID 171989257
N-[(3S,3aS,6R,6aR)-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4-methylbenzamide
CID 162980082
N-cyclopropyl-4-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206885
(2,4-dimethoxyphenyl)-[4-[(4-phenylpyrimidin-2-yl)amino]piperidin-1-yl]methanone
CID 66552003
4-(4-bromophenyl)-N-(2,2-dimethyl-6-methylidenepiperidin-4-yl)pyrimidin-2-amine
CID 89135755

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).