2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide

C14H20N6O — CID 72894787

IUPAC2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(CC)c2ccnn2C)cn1
InChIInChI=1S/C14H20N6O/c1-4-11(12-6-7-18-20(12)3)19-13(21)10-8-16-14(15-5-2)17-9-10/h6-9,11H,4-5H2,1-3H3,(H,19,21)(H,15,16,17)
InChIKeyNAGWAVXTGXDHKR-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.52
Rot. Bonds6

About 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide (PubChem CID 72894787) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide
PubChem CID72894787
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)NC(CC)c2ccnn2C)cn1
InChIInChI=1S/C14H20N6O/c1-4-11(12-6-7-18-20(12)3)19-13(21)10-8-16-14(15-5-2)17-9-10/h6-9,11H,4-5H2,1-3H3,(H,19,21)(H,15,16,17)
InChIKeyNAGWAVXTGXDHKR-UHFFFAOYSA-N
XLogP1.52
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097821
1-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 146381322
5,7-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097803
5,7-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440633
1-cyclopentyl-6-[(1R)-1-(3-pyrimidin-4-ylazetidin-1-yl)ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873885
1-cyclopentyl-6-[(1R)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873886
1-cyclopentyl-6-[(1R)-1-[3-(4,6-dimethylpyrimidin-2-yl)azetidin-1-yl]ethyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135873903
2-((1R,2S)-2-aminocyclohexylamino)-4-(4-(3-methyl-1H-pyrazol-1-yl)phenylamino)pyrimidine-5-carboxamide
CID 46184609
US9579320, Example 471
CID 57472115
US11344549, Example 110
CID 165112316
5,7-dimethyl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3113009
N-[2-(5-methylpyrazol-1-yl)ethyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 25914951

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide (CID 72894787) is 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)NC(CC)c2ccnn2C)cn1.
What is the InChIKey of 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide?
The InChIKey is NAGWAVXTGXDHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-4-11(12-6-7-18-20(12)3)19-13(21)10-8-16-14(15-5-2)17-9-10/h6-9,11H,4-5H2,1-3H3,(H,19,21)(H,15,16,17).
What are the key properties of 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72894787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).