[(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid

C15H21N7O2 — CID 166758966

IUPAC[(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid
SMILESCc1nn(C)cc1-c1cc(N2CC[C@@H](N(C)C(=O)O)C2)nc(N)n1
InChIInChI=1S/C15H21N7O2/c1-9-11(8-20(2)19-9)12-6-13(18-14(16)17-12)22-5-4-10(7-22)21(3)15(23)24/h6,8,10H,4-5,7H2,1-3H3,(H,23,24)(H2,16,17,18)/t10-/m1/s1
InChIKeySPJUNNLPTHGZOU-SNVBAGLBSA-N
MW331.38 g/mol
LogP0.96
Rot. Bonds3

About [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid

[(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid (PubChem CID 166758966) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid
PubChem CID166758966
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name[(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid
SMILESCc1nn(C)cc1-c1cc(N2CC[C@@H](N(C)C(=O)O)C2)nc(N)n1
InChIInChI=1S/C15H21N7O2/c1-9-11(8-20(2)19-9)12-6-13(18-14(16)17-12)22-5-4-10(7-22)21(3)15(23)24/h6,8,10H,4-5,7H2,1-3H3,(H,23,24)(H2,16,17,18)/t10-/m1/s1
InChIKeySPJUNNLPTHGZOU-SNVBAGLBSA-N
XLogP0.96
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,3-dimethylpyrazol-4-yl)-6-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine
CID 175165632
[1-[2-amino-6-[1-(difluoromethyl)-3-methylpyrazol-4-yl]pyrimidin-4-yl]azetidin-3-yl]-methylcarbamic acid
CID 166793462
[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid
CID 166758968
[(3R)-1-[2-amino-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid
CID 166758948
4-(3-bromo-1-methylpyrazol-4-yl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 166492499
N,1,3-trimethyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]pyrazole-4-carboxamide
CID 124986213
N,1,3-trimethyl-N-(1-pyridin-2-ylpiperidin-3-yl)pyrazole-4-carboxamide
CID 110107211
tert-butyl N-[(3R)-1-[2-amino-6-(phenylmethoxymethyl)pyrimidin-4-yl]pyrrolidin-3-yl]-N-methylcarbamate
CID 141306288
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 159912281
[(3R)-1-[2-amino-6-(3-amino-1H-indazol-6-yl)pyrimidin-4-yl]piperidin-3-yl]-cyclopentylcarbamic acid
CID 66991408
methyl-[(3R)-1-(6-nitroquinolin-2-yl)pyrrolidin-3-yl]carbamic acid
CID 69058174
1-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidine-3-carboxylic acid
CID 70215490

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid?
The IUPAC name of [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid (CID 166758966) is [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid.
What is the SMILES notation for [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid?
The canonical SMILES for [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid is Cc1nn(C)cc1-c1cc(N2CC[C@@H](N(C)C(=O)O)C2)nc(N)n1.
What is the InChIKey of [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid?
The InChIKey is SPJUNNLPTHGZOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-9-11(8-20(2)19-9)12-6-13(18-14(16)17-12)22-5-4-10(7-22)21(3)15(23)24/h6,8,10H,4-5,7H2,1-3H3,(H,23,24)(H2,16,17,18)/t10-/m1/s1.
What are the key properties of [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid?
[(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid has a molecular weight of 331.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid is sourced from PubChem (CID 166758966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).