6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide

C19H28N6O2 — CID 46974849

IUPAC6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2c(C)nn(C)c2C)nc(N2CCOCC2)n1
InChIInChI=1S/C19H28N6O2/c1-12(10-16-14(3)23-24(5)15(16)4)20-18(26)17-11-13(2)21-19(22-17)25-6-8-27-9-7-25/h11-12H,6-10H2,1-5H3,(H,20,26)
InChIKeyDUFBTOUUMZTWLC-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.33
Rot. Bonds5

About 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide

6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide (PubChem CID 46974849) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide
PubChem CID46974849
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)Cc2c(C)nn(C)c2C)nc(N2CCOCC2)n1
InChIInChI=1S/C19H28N6O2/c1-12(10-16-14(3)23-24(5)15(16)4)20-18(26)17-11-13(2)21-19(22-17)25-6-8-27-9-7-25/h11-12H,6-10H2,1-5H3,(H,20,26)
InChIKeyDUFBTOUUMZTWLC-UHFFFAOYSA-N
XLogP1.33
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide (CID 46974849) is 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)Cc2c(C)nn(C)c2C)nc(N2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is DUFBTOUUMZTWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-12(10-16-14(3)23-24(5)15(16)4)20-18(26)17-11-13(2)21-19(22-17)25-6-8-27-9-7-25/h11-12H,6-10H2,1-5H3,(H,20,26).
What are the key properties of 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide?
6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 46974849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).