4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide

C17H26N4O2 — CID 74238262

IUPAC4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H26N4O2/c1-14-15(11-18-13-20-14)16(22)19-12-17(5-3-2-4-6-17)21-7-9-23-10-8-21/h11,13H,2-10,12H2,1H3,(H,19,22)
InChIKeyGYJBPTNWNOHRDX-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.55
Rot. Bonds4

About 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide

4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide (PubChem CID 74238262) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
PubChem CID74238262
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide
SMILESCc1ncncc1C(=O)NCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C17H26N4O2/c1-14-15(11-18-13-20-14)16(22)19-12-17(5-3-2-4-6-17)21-7-9-23-10-8-21/h11,13H,2-10,12H2,1H3,(H,19,22)
InChIKeyGYJBPTNWNOHRDX-UHFFFAOYSA-N
XLogP1.55
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide (CID 74238262) is 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide is Cc1ncncc1C(=O)NCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is GYJBPTNWNOHRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14-15(11-18-13-20-14)16(22)19-12-17(5-3-2-4-6-17)21-7-9-23-10-8-21/h11,13H,2-10,12H2,1H3,(H,19,22).
What are the key properties of 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide?
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74238262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).