2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol

C16H19N3O — CID 115972266

IUPAC2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H19N3O/c1-16(2)13(8-14(16)20)19-12-9-17-15(18-10-12)11-6-4-3-5-7-11/h3-7,9-10,13-14,19-20H,8H2,1-2H3
InChIKeyAWLJCROUXBAHRW-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.71
Rot. Bonds3

About 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol

2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol (PubChem CID 115972266) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol
PubChem CID115972266
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C16H19N3O/c1-16(2)13(8-14(16)20)19-12-9-17-15(18-10-12)11-6-4-3-5-7-11/h3-7,9-10,13-14,19-20H,8H2,1-2H3
InChIKeyAWLJCROUXBAHRW-UHFFFAOYSA-N
XLogP2.71
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(pyrimidin-5-ylamino)cyclobutan-1-ol
CID 107587633
N-(3,5-dimethylcyclohexyl)-2-phenylpyrimidin-5-amine
CID 64751560
2,2-dimethyl-3-[3-(2H-tetrazol-5-yl)anilino]cyclobutan-1-ol
CID 112633643
2,2-dimethyl-3-(3-methylanilino)cyclobutan-1-ol
CID 112633098
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol
CID 112633777
2,2-dimethyl-3-[(5-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 103952292
N-(2-phenylpyrimidin-5-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364132
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
CID 112633683
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 114630661
3-(3,5-difluoroanilino)-2,2-dimethylcyclobutan-1-ol
CID 112633224

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol (CID 115972266) is 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol is CC1(C)C(O)CC1Nc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol?
The InChIKey is AWLJCROUXBAHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2)13(8-14(16)20)19-12-9-17-15(18-10-12)11-6-4-3-5-7-11/h3-7,9-10,13-14,19-20H,8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol?
2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol has a molecular weight of 269.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(2-phenylpyrimidin-5-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 115972266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).