N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

C17H25N7O2 — CID 95744380

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CCN(C)C)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H25N7O2/c1-13-10-15(21-17(19-13)23-6-8-26-9-7-23)16(25)20-14-11-18-24(12-14)5-4-22(2)3/h10-12H,4-9H2,1-3H3,(H,20,25)
InChIKeyABHDGBYCOOISSK-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.63
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 95744380) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID95744380
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cnn(CCN(C)C)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C17H25N7O2/c1-13-10-15(21-17(19-13)23-6-8-26-9-7-23)16(25)20-14-11-18-24(12-14)5-4-22(2)3/h10-12H,4-9H2,1-3H3,(H,20,25)
InChIKeyABHDGBYCOOISSK-UHFFFAOYSA-N
XLogP0.63
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(dimethylamino)-N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methylpyrimidine-4-carboxamide
CID 95744392
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109325558
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2-morpholin-4-yl-6-propan-2-ylpyrimidine-4-carboxamide
CID 71830804
6-methyl-2-morpholin-4-yl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109324299
N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324293
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324279
N-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95756562
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95744231
[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methanone
CID 92625774

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 95744380) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cnn(CCN(C)C)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is ABHDGBYCOOISSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-13-10-15(21-17(19-13)23-6-8-26-9-7-23)16(25)20-14-11-18-24(12-14)5-4-22(2)3/h10-12H,4-9H2,1-3H3,(H,20,25).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 95744380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).