2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide

C16H20N4O2 — CID 75433246

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide
SMILESCOc1ccnc(NC(Cc2ccccc2)C(=O)N(C)C)n1
InChIInChI=1S/C16H20N4O2/c1-20(2)15(21)13(11-12-7-5-4-6-8-12)18-16-17-10-9-14(19-16)22-3/h4-10,13H,11H2,1-3H3,(H,17,18,19)
InChIKeyCHUZOXDRPZVOLT-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.60
Rot. Bonds6

About 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide

2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide (PubChem CID 75433246) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide
PubChem CID75433246
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide
SMILESCOc1ccnc(NC(Cc2ccccc2)C(=O)N(C)C)n1
InChIInChI=1S/C16H20N4O2/c1-20(2)15(21)13(11-12-7-5-4-6-8-12)18-16-17-10-9-14(19-16)22-3/h4-10,13H,11H2,1-3H3,(H,17,18,19)
InChIKeyCHUZOXDRPZVOLT-UHFFFAOYSA-N
XLogP1.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)amino]-3-phenylpropanoic acid
CID 122049525
1-[(4-methoxypyrimidin-2-yl)amino]-3-phenylpropan-2-ol
CID 133289929
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
(2S)-2-[[4-[[(2S)-1-(4-methoxy-N-methylanilino)-1-oxopropan-2-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide
CID 134344906
N-[(2R)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]isoquinoline-1-carboxamide
CID 95185467
(2R)-3-methyl-2-[(4-phenylmethoxypyrimidin-2-yl)amino]butanoic acid
CID 122050790
2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid
CID 122060540
2-[[4,6-bis[(1-carboxy-2-phenylethyl)amino]-1,3,5-triazin-2-yl]amino]-3-phenylpropanoic acid
CID 90051144
3-methoxy-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636213
methyl 3-hydroxy-2-[(4-propoxypyrimidin-2-yl)amino]propanoate
CID 112638932
4-methoxy-N-(1-thiophen-3-ylpropan-2-yl)pyrimidin-2-amine
CID 112686316
(2S)-2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-(4-methoxyphenyl)-N-methyl-3-phenylpropanamide;sulfane
CID 158044742

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide (CID 75433246) is 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide is COc1ccnc(NC(Cc2ccccc2)C(=O)N(C)C)n1.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide?
The InChIKey is CHUZOXDRPZVOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-20(2)15(21)13(11-12-7-5-4-6-8-12)18-16-17-10-9-14(19-16)22-3/h4-10,13H,11H2,1-3H3,(H,17,18,19).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide?
2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrimidin-2-yl)amino]-N,N-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 75433246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).