2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide

C17H22N4O — CID 133309510

IUPAC2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1ccnc(Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)n1
InChIInChI=1S/C17H22N4O/c1-11-6-7-13(20-16-18-9-8-12(2)19-16)10-14(11)21-15(22)17(3,4)5/h6-10H,1-5H3,(H,21,22)(H,18,19,20)
InChIKeyMPFVTUQWJZHVEZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.82
Rot. Bonds3

About 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide

2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide (PubChem CID 133309510) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide
PubChem CID133309510
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide
SMILESCc1ccnc(Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)n1
InChIInChI=1S/C17H22N4O/c1-11-6-7-13(20-16-18-9-8-12(2)19-16)10-14(11)21-15(22)17(3,4)5/h6-10H,1-5H3,(H,21,22)(H,18,19,20)
InChIKeyMPFVTUQWJZHVEZ-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
N-[5-[(2-hydroxy-2-phenylacetyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 111538465
(2S)-2-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-3,3-dimethylbutanamide
CID 119780776
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 110006658
1-amino-N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]cyclopropane-1-carboxamide
CID 119780748
4-methyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 12817737
2,2-dimethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide
CID 66475481
N-[5-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 119780768
3-[[4-[(4,6-dimethylpyrimidin-2-yl)amino]benzoyl]amino]-4-methylbenzoic acid
CID 108807870
4-[[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673576
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015790
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
CID 119321965

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide (CID 133309510) is 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide is Cc1ccnc(Nc2ccc(C)c(NC(=O)C(C)(C)C)c2)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide?
The InChIKey is MPFVTUQWJZHVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-6-7-13(20-16-18-9-8-12(2)19-16)10-14(11)21-15(22)17(3,4)5/h6-10H,1-5H3,(H,21,22)(H,18,19,20).
What are the key properties of 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide?
2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]propanamide is sourced from PubChem (CID 133309510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).