1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide

C12H16N6O — CID 80868436

IUPAC1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCCNc1ncnc(-n2ccc(C(N)=O)n2)c1CC
InChIInChI=1S/C12H16N6O/c1-3-8-11(14-4-2)15-7-16-12(8)18-6-5-9(17-18)10(13)19/h5-7H,3-4H2,1-2H3,(H2,13,19)(H,14,15,16)
InChIKeyQKGJGSCGRREEHV-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.76
Rot. Bonds5

About 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide

1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide (PubChem CID 80868436) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
PubChem CID80868436
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCCNc1ncnc(-n2ccc(C(N)=O)n2)c1CC
InChIInChI=1S/C12H16N6O/c1-3-8-11(14-4-2)15-7-16-12(8)18-6-5-9(17-18)10(13)19/h5-7H,3-4H2,1-2H3,(H2,13,19)(H,14,15,16)
InChIKeyQKGJGSCGRREEHV-UHFFFAOYSA-N
XLogP0.76
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-ethyl-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80903601
N,N-dimethyl-1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80843200
1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 80868849
5-ethyl-N-methyl-6-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 80857839
1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
CID 66318435
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 80867683
1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64782872
3-[[5-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]-3-methylbutanamide
CID 106098851
N,5-diethyl-6-(4-propan-2-ylpiperidin-1-yl)pyrimidin-4-amine
CID 103504582
6-(3,5-diethyl-1,2,4-triazol-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80867775
N,5-diethyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80805279
1-(3-bromo-4-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 106877646

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide (CID 80868436) is 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide is CCNc1ncnc(-n2ccc(C(N)=O)n2)c1CC.
What is the InChIKey of 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is QKGJGSCGRREEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-3-8-11(14-4-2)15-7-16-12(8)18-6-5-9(17-18)10(13)19/h5-7H,3-4H2,1-2H3,(H2,13,19)(H,14,15,16).
What are the key properties of 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide?
1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 80868436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).