N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

C16H22N6O2 — CID 91816437

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cc(N3CCOCC3)ncn2)n1
InChIInChI=1S/C16H22N6O2/c1-12-9-13(2)22(20-12)4-3-17-16(23)14-10-15(19-11-18-14)21-5-7-24-8-6-21/h9-11H,3-8H2,1-2H3,(H,17,23)
InChIKeyIBLWRLDJAWRUOS-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.56
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 91816437) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID91816437
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2cc(N3CCOCC3)ncn2)n1
InChIInChI=1S/C16H22N6O2/c1-12-9-13(2)22(20-12)4-3-17-16(23)14-10-15(19-11-18-14)21-5-7-24-8-6-21/h9-11H,3-8H2,1-2H3,(H,17,23)
InChIKeyIBLWRLDJAWRUOS-UHFFFAOYSA-N
XLogP0.56
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 171138573
N-[2-(2-fluorophenyl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343472
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylpyrazole-3-carboxamide
CID 35761321
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-methoxypyridazine-3-carboxamide
CID 90509385
N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
6-(2-ethylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344596
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168470
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2,6-dimethoxybenzamide
CID 35525595
6-(4-acetylpiperazin-1-yl)-N-butylpyrimidine-4-carboxamide
CID 109340018
6-morpholin-4-yl-N-[(1S)-1-phenylethyl]pyrimidine-4-carboxamide
CID 124749178
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 91816437) is N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is Cc1cc(C)n(CCNC(=O)c2cc(N3CCOCC3)ncn2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is IBLWRLDJAWRUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-12-9-13(2)22(20-12)4-3-17-16(23)14-10-15(19-11-18-14)21-5-7-24-8-6-21/h9-11H,3-8H2,1-2H3,(H,17,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91816437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).