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

C16H23N7O2 — CID 166758968

IUPAC[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid
SMILESCc1nn(C)cc1-c1cc(N2CCC(C)(N(C)C(=O)O)C2)nc(N)n1
InChIInChI=1S/C16H23N7O2/c1-10-11(8-21(3)20-10)12-7-13(19-14(17)18-12)23-6-5-16(2,9-23)22(4)15(24)25/h7-8H,5-6,9H2,1-4H3,(H,24,25)(H2,17,18,19)
InChIKeyCUBJPPRZNLNXHG-UHFFFAOYSA-N
MW345.41 g/mol
LogP1.35
Rot. Bonds3

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

[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid (PubChem CID 166758968) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is [1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid
PubChem CID166758968
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid
SMILESCc1nn(C)cc1-c1cc(N2CCC(C)(N(C)C(=O)O)C2)nc(N)n1
InChIInChI=1S/C16H23N7O2/c1-10-11(8-21(3)20-10)12-7-13(19-14(17)18-12)23-6-5-16(2,9-23)22(4)15(24)25/h7-8H,5-6,9H2,1-4H3,(H,24,25)(H2,17,18,19)
InChIKeyCUBJPPRZNLNXHG-UHFFFAOYSA-N
XLogP1.35
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(3R)-1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid
CID 166758966
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
4-(3,4-difluorophenyl)-1-[6-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]piperidin-4-ol
CID 155263886
4-(3-bromo-1-methylpyrazol-4-yl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 166492499
5-chloro-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxylic acid
CID 65196893
6-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidin-4-amine
CID 80855443
3-(1,3-dimethylpyrazol-4-yl)-1-(3-methyl-1,1-dioxothiolan-3-yl)pyrazol-4-amine
CID 83204357
[(3R)-1-[2-amino-6-(1H-pyrazol-5-yl)pyrimidin-4-yl]pyrrolidin-3-yl]-methylcarbamic acid
CID 166758948
6-(1,3-dimethylpyrazol-4-yl)-N,N-dimethyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 171315551
4-(1,3-dimethylpyrazol-4-yl)-13-methyl-11-(trifluoromethyl)-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-6-carboxylic acid
CID 19916287
1-(2-amino-6-pyrrolidin-1-ylpyrimidin-4-yl)-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 70784403

Frequently Asked Questions

What is the IUPAC name of [1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid?
The IUPAC name of [1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid (CID 166758968) is [1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid.
What is the SMILES notation for [1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid?
The canonical SMILES for [1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid is Cc1nn(C)cc1-c1cc(N2CCC(C)(N(C)C(=O)O)C2)nc(N)n1.
What is the InChIKey of [1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid?
The InChIKey is CUBJPPRZNLNXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c1-10-11(8-21(3)20-10)12-7-13(19-14(17)18-12)23-6-5-16(2,9-23)22(4)15(24)25/h7-8H,5-6,9H2,1-4H3,(H,24,25)(H2,17,18,19).
What are the key properties of [1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid?
[1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid has a molecular weight of 345.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-amino-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylpyrrolidin-3-yl]-methylcarbamic acid is sourced from PubChem (CID 166758968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).