3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

C17H22N4O3 — CID 91785701

IUPAC3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCOc1cccc(CNc2cc(C3CC(O)C3)nc(N)n2)c1OC
InChIInChI=1S/C17H22N4O3/c1-23-14-5-3-4-10(16(14)24-2)9-19-15-8-13(20-17(18)21-15)11-6-12(22)7-11/h3-5,8,11-12,22H,6-7,9H2,1-2H3,(H3,18,19,20,21)
InChIKeyAJFHBHBTNMBIAZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.93
Rot. Bonds6

About 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol

3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91785701) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91785701
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCOc1cccc(CNc2cc(C3CC(O)C3)nc(N)n2)c1OC
InChIInChI=1S/C17H22N4O3/c1-23-14-5-3-4-10(16(14)24-2)9-19-15-8-13(20-17(18)21-15)11-6-12(22)7-11/h3-5,8,11-12,22H,6-7,9H2,1-2H3,(H3,18,19,20,21)
InChIKeyAJFHBHBTNMBIAZ-UHFFFAOYSA-N
XLogP1.93
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-aminocyclobutyl)-N-[(2,3-dimethoxyphenyl)methyl]pyrimidin-4-amine;dihydrochloride
CID 154901954
3-[2-amino-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777677
3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91779527
3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91761176
3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91787116
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
6-[(3R)-oxolan-3-yl]-4-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 126430229
N-[(2,3-dimethoxyphenyl)methyl]hydroxylamine
CID 11572077
3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91784009
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91793294
N-[(2,3-dimethoxyphenyl)methyl]-6-fluoropyridin-3-amine
CID 103825857
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91785701) is 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is COc1cccc(CNc2cc(C3CC(O)C3)nc(N)n2)c1OC.
What is the InChIKey of 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is AJFHBHBTNMBIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-14-5-3-4-10(16(14)24-2)9-19-15-8-13(20-17(18)21-15)11-6-12(22)7-11/h3-5,8,11-12,22H,6-7,9H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 330.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91785701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).