5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide

C12H18N6O — CID 170574990

IUPAC5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide
SMILESCCc1ncc(NC2=C(C)NNC2C)c(C(N)=O)n1
InChIInChI=1S/C12H18N6O/c1-4-9-14-5-8(11(16-9)12(13)19)15-10-6(2)17-18-7(10)3/h5-6,15,17-18H,4H2,1-3H3,(H2,13,19)
InChIKeyQYARVEYCEKZOAB-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.28
Rot. Bonds4

About 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide

5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide (PubChem CID 170574990) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide
PubChem CID170574990
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide
SMILESCCc1ncc(NC2=C(C)NNC2C)c(C(N)=O)n1
InChIInChI=1S/C12H18N6O/c1-4-9-14-5-8(11(16-9)12(13)19)15-10-6(2)17-18-7(10)3/h5-6,15,17-18H,4H2,1-3H3,(H2,13,19)
InChIKeyQYARVEYCEKZOAB-UHFFFAOYSA-N
XLogP0.28
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide?
The IUPAC name of 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide (CID 170574990) is 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide?
The canonical SMILES for 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide is CCc1ncc(NC2=C(C)NNC2C)c(C(N)=O)n1.
What is the InChIKey of 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide?
The InChIKey is QYARVEYCEKZOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-9-14-5-8(11(16-9)12(13)19)15-10-6(2)17-18-7(10)3/h5-6,15,17-18H,4H2,1-3H3,(H2,13,19).
What are the key properties of 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide?
5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-2-ethylpyrimidine-4-carboxamide is sourced from PubChem (CID 170574990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).