N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide

C14H23N5O2 — CID 83105081

IUPACN-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
SMILESCCCNc1ncnc(N2CCOCC2C(=O)NC)c1C
InChIInChI=1S/C14H23N5O2/c1-4-5-16-12-10(2)13(18-9-17-12)19-6-7-21-8-11(19)14(20)15-3/h9,11H,4-8H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyBNRSEQHFOCELBV-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.56
Rot. Bonds5

About N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide

N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide (PubChem CID 83105081) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
PubChem CID83105081
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
SMILESCCCNc1ncnc(N2CCOCC2C(=O)NC)c1C
InChIInChI=1S/C14H23N5O2/c1-4-5-16-12-10(2)13(18-9-17-12)19-6-7-21-8-11(19)14(20)15-3/h9,11H,4-8H2,1-3H3,(H,15,20)(H,16,17,18)
InChIKeyBNRSEQHFOCELBV-UHFFFAOYSA-N
XLogP0.56
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83103916
4-(6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylmorpholine-3-carboxamide
CID 83104519
N-ethyl-4-[6-(ethylamino)-5-methylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105968
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidine-2-carboxamide
CID 80786025
4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83105672
N-ethyl-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83104234
N-methyl-4-[6-(methylamino)-5-propylpyrimidin-4-yl]morpholine-3-carboxamide
CID 83105245
4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83104376
1-[5-ethyl-6-(propylamino)pyrimidin-4-yl]-N-methylpyrrolidine-2-carboxamide
CID 80785472
N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535676
4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid
CID 114214594
N-ethyl-4-[5-methoxy-6-(methylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83104938

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
The IUPAC name of N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide (CID 83105081) is N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
The canonical SMILES for N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide is CCCNc1ncnc(N2CCOCC2C(=O)NC)c1C.
What is the InChIKey of N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
The InChIKey is BNRSEQHFOCELBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-5-16-12-10(2)13(18-9-17-12)19-6-7-21-8-11(19)14(20)15-3/h9,11H,4-8H2,1-3H3,(H,15,20)(H,16,17,18).
What are the key properties of N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide?
N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide is sourced from PubChem (CID 83105081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).