3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide

C14H25N5O — CID 106280710

IUPAC3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCCc1nc(NC)c(C)c(NCC(C)(C)C(=O)NC)n1
InChIInChI=1S/C14H25N5O/c1-7-10-18-11(15-5)9(2)12(19-10)17-8-14(3,4)13(20)16-6/h7-8H2,1-6H3,(H,16,20)(H2,15,17,18,19)
InChIKeyVPNGVWRKOKYBQL-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.57
Rot. Bonds6

About 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide

3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide (PubChem CID 106280710) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
PubChem CID106280710
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
SMILESCCc1nc(NC)c(C)c(NCC(C)(C)C(=O)NC)n1
InChIInChI=1S/C14H25N5O/c1-7-10-18-11(15-5)9(2)12(19-10)17-8-14(3,4)13(20)16-6/h7-8H2,1-6H3,(H,16,20)(H2,15,17,18,19)
InChIKeyVPNGVWRKOKYBQL-UHFFFAOYSA-N
XLogP1.57
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 103823307
2-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981203
4-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149725
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide
CID 106280708
2-ethyl-6-N,5-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80982045
3-[2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]ethyl]-1,1-dimethylurea
CID 83118046
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279614
3-ethyl-1-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 106288887
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]-N-methylacetamide
CID 80993763
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 106280809
2-ethyl-6-N,5-dimethyl-4-N-(5,5,5-trifluoropentyl)pyrimidine-4,6-diamine
CID 115523193
3-[[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280580

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide (CID 106280710) is 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide is CCc1nc(NC)c(C)c(NCC(C)(C)C(=O)NC)n1.
What is the InChIKey of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
The InChIKey is VPNGVWRKOKYBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-7-10-18-11(15-5)9(2)12(19-10)17-8-14(3,4)13(20)16-6/h7-8H2,1-6H3,(H,16,20)(H2,15,17,18,19).
What are the key properties of 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide?
3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide has a molecular weight of 279.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106280710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).