5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

C14H23N5O2 — CID 62168386

IUPAC5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C14H23N5O2/c1-5-6-16-11(20)8-18-14(21)12-10(15-4)7-17-13(19-12)9(2)3/h7,9,15H,5-6,8H2,1-4H3,(H,16,20)(H,18,21)
InChIKeyAFTIKEUHOOOEEC-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.90
Rot. Bonds7

About 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide

5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62168386) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62168386
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCNC(=O)CNC(=O)c1nc(C(C)C)ncc1NC
InChIInChI=1S/C14H23N5O2/c1-5-6-16-11(20)8-18-14(21)12-10(15-4)7-17-13(19-12)9(2)3/h7,9,15H,5-6,8H2,1-4H3,(H,16,20)(H,18,21)
InChIKeyAFTIKEUHOOOEEC-UHFFFAOYSA-N
XLogP0.90
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylamino)-2-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 55042358
5-(methylamino)-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82940841
N-[2-(ethylamino)-2-oxoethyl]-5-hydrazinyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62241398
5-(methylamino)-N-(4-methylpentyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63003869
5-[[3-oxo-3-(propylamino)propyl]amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62087587
N-[2-[ethyl(methyl)amino]ethyl]-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62642217
N-(3-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63499131
5-(methylamino)-2-propan-2-yl-N-(3-sulfamoylpropyl)pyrimidine-4-carboxamide
CID 62179987
N-(2-methylbutyl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 63500828
5-(methylamino)-N-(4-methylcyclohexyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62171067
5-(methylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175297
N-(3-methylbutan-2-yl)-2-propan-2-yl-5-(propylamino)pyrimidine-4-carboxamide
CID 62165287

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 62168386) is 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is CCCNC(=O)CNC(=O)c1nc(C(C)C)ncc1NC.
What is the InChIKey of 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is AFTIKEUHOOOEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-5-6-16-11(20)8-18-14(21)12-10(15-4)7-17-13(19-12)9(2)3/h7,9,15H,5-6,8H2,1-4H3,(H,16,20)(H,18,21).
What are the key properties of 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide?
5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62168386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).