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

C16H22N6O2 — CID 56731238

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnn(C)c2C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N6O2/c1-11-8-14(20-16(19-11)22-4-6-24-7-5-22)15(23)17-9-13-10-18-21(3)12(13)2/h8,10H,4-7,9H2,1-3H3,(H,17,23)
InChIKeyZCWOPQXHMCCSQT-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.59
Rot. Bonds4

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

N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 56731238) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID56731238
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cnn(C)c2C)nc(N2CCOCC2)n1
InChIInChI=1S/C16H22N6O2/c1-11-8-14(20-16(19-11)22-4-6-24-7-5-22)15(23)17-9-13-10-18-21(3)12(13)2/h8,10H,4-7,9H2,1-3H3,(H,17,23)
InChIKeyZCWOPQXHMCCSQT-UHFFFAOYSA-N
XLogP0.59
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 56731238) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2cnn(C)c2C)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is ZCWOPQXHMCCSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11-8-14(20-16(19-11)22-4-6-24-7-5-22)15(23)17-9-13-10-18-21(3)12(13)2/h8,10H,4-7,9H2,1-3H3,(H,17,23).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 56731238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).