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

C19H22N6O — CID 91777110

IUPAC3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCc2cnn(Cc3ccccc3)c2)cc(C2CC(O)C2)n1
InChIInChI=1S/C19H22N6O/c20-19-23-17(15-6-16(26)7-15)8-18(24-19)21-9-14-10-22-25(12-14)11-13-4-2-1-3-5-13/h1-5,8,10,12,15-16,26H,6-7,9,11H2,(H3,20,21,23,24)
InChIKeyWUZLUKAZOHTDDZ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.15
Rot. Bonds6

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

3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91777110) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91777110
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
SMILESNc1nc(NCc2cnn(Cc3ccccc3)c2)cc(C2CC(O)C2)n1
InChIInChI=1S/C19H22N6O/c20-19-23-17(15-6-16(26)7-15)8-18(24-19)21-9-14-10-22-25(12-14)11-13-4-2-1-3-5-13/h1-5,8,10,12,15-16,26H,6-7,9,11H2,(H3,20,21,23,24)
InChIKeyWUZLUKAZOHTDDZ-UHFFFAOYSA-N
XLogP2.15
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
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
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide
CID 91780839
N-[(1-benzylpyrazol-4-yl)methyl]aniline
CID 43503098
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91793294
3-[6-[(1-propylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91780188
3-[2-amino-6-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91791109
6-(3-aminocyclobutyl)-4-N-[(3S)-1-benzylpyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 91786856
4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 91760625
(1-benzylpyrazol-4-yl)methylhydrazine
CID 130820345
3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91785701

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol (CID 91777110) is 3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is Nc1nc(NCc2cnn(Cc3ccccc3)c2)cc(C2CC(O)C2)n1.
What is the InChIKey of 3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is WUZLUKAZOHTDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c20-19-23-17(15-6-16(26)7-15)8-18(24-19)21-9-14-10-22-25(12-14)11-13-4-2-1-3-5-13/h1-5,8,10,12,15-16,26H,6-7,9,11H2,(H3,20,21,23,24).
What are the key properties of 3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol?
3-[2-amino-6-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 350.43 g/mol, XLogP of 2.15, 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-[(1-benzylpyrazol-4-yl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91777110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).