N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

C15H20N6O2 — CID 56731242

IUPACN-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H20N6O2/c1-3-21-10-12(9-16-21)18-14(22)13-8-11(2)17-15(19-13)20-4-6-23-7-5-20/h8-10H,3-7H2,1-2H3,(H,18,22)
InChIKeyGRHYMOTZTWAQRD-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.09
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 56731242) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID56731242
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC NameN-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCn1cc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)cn1
InChIInChI=1S/C15H20N6O2/c1-3-21-10-12(9-16-21)18-14(22)13-8-11(2)17-15(19-13)20-4-6-23-7-5-20/h8-10H,3-7H2,1-2H3,(H,18,22)
InChIKeyGRHYMOTZTWAQRD-UHFFFAOYSA-N
XLogP1.09
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 56731242) is N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is CCn1cc(NC(=O)c2cc(C)nc(N3CCOCC3)n2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is GRHYMOTZTWAQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-3-21-10-12(9-16-21)18-14(22)13-8-11(2)17-15(19-13)20-4-6-23-7-5-20/h8-10H,3-7H2,1-2H3,(H,18,22).
What are the key properties of N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 56731242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).