N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide

C11H19N5O — CID 80800769

IUPACN-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNC(=O)C(C)Nc1cc(C)nc(NC)n1
InChIInChI=1S/C11H19N5O/c1-5-13-10(17)8(3)15-9-6-7(2)14-11(12-4)16-9/h6,8H,5H2,1-4H3,(H,13,17)(H2,12,14,15,16)
InChIKeyINLDWOQBHDNVTO-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.76
Rot. Bonds5

About N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide

N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide (PubChem CID 80800769) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
PubChem CID80800769
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
SMILESCCNC(=O)C(C)Nc1cc(C)nc(NC)n1
InChIInChI=1S/C11H19N5O/c1-5-13-10(17)8(3)15-9-6-7(2)14-11(12-4)16-9/h6,8H,5H2,1-4H3,(H,13,17)(H2,12,14,15,16)
InChIKeyINLDWOQBHDNVTO-UHFFFAOYSA-N
XLogP0.76
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 103114042
N-ethyl-2-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 114564470
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
N-ethyl-2-[(6-methyl-2-pyridinyl)amino]propanamide
CID 61480114
methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate
CID 80812205
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570
N-ethyl-2-[[5-(methylamino)-3-pyridinyl]amino]propanamide
CID 104533495
2-[(6-amino-2-ethylpyrimidin-4-yl)amino]-N-ethylpropanamide
CID 80935004
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-N-ethylpropanamide
CID 102715642
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
CID 60658746
2-(3,5-dimethylanilino)-N-ethylpropanamide
CID 43086091
3-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 113411160

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide (CID 80800769) is N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide is CCNC(=O)C(C)Nc1cc(C)nc(NC)n1.
What is the InChIKey of N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
The InChIKey is INLDWOQBHDNVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-5-13-10(17)8(3)15-9-6-7(2)14-11(12-4)16-9/h6,8H,5H2,1-4H3,(H,13,17)(H2,12,14,15,16).
What are the key properties of N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide?
N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide has a molecular weight of 237.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 80800769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).