2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

C15H18N4O2 — CID 54852097

IUPAC2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1
InChIInChI=1S/C15H18N4O2/c1-9-12(14(20)19(2)3)13(18-15(16)17-9)10-5-7-11(21-4)8-6-10/h5-8H,1-4H3,(H2,16,17,18)
InChIKeyJFGNHTGHEVVDBK-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.74
Rot. Bonds3

About 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (PubChem CID 54852097) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
PubChem CID54852097
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCOc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1
InChIInChI=1S/C15H18N4O2/c1-9-12(14(20)19(2)3)13(18-15(16)17-9)10-5-7-11(21-4)8-6-10/h5-8H,1-4H3,(H2,16,17,18)
InChIKeyJFGNHTGHEVVDBK-UHFFFAOYSA-N
XLogP1.74
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Azepan-1-yl)-6-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 664371
4,6-Bis(4-methoxyphenyl)pyrimidin-2-amine
CID 21812434
4-[2-Methoxy-6-[[2-(4-methoxyphenyl)ethyl]amino]-4-pyrimidinyl]benzamide
CID 53318738
[4-[2-Amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 10071471
N-(5-cyano-4,6-diphenylpyrimidin-2-yl)-4-methoxybenzamide
CID 44451682
2-(ethylamino)-6-[3-(4-methoxyphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
CID 71541723
4-[[4-(4-Methoxyphenyl)pyrimidin-2-yl]amino]benzamide
CID 137656865
4-[6-(4-Methoxyphenyl)-2-phenylpyrimidin-4-yl]benzamide
CID 145982633
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzamide
CID 717499
4-(4-Methoxybenzyl)-6-[1-(phenylcarbonyl)piperidin-4-yl]pyrimidin-2-amine
CID 15428768
[4-[2-Amino-5-(4-methoxyphenyl)-6-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 15428769
5-Butyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
CID 68293344

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (CID 54852097) is 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is COc1ccc(-c2nc(N)nc(C)c2C(=O)N(C)C)cc1.
What is the InChIKey of 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is JFGNHTGHEVVDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-9-12(14(20)19(2)3)13(18-15(16)17-9)10-5-7-11(21-4)8-6-10/h5-8H,1-4H3,(H2,16,17,18).
What are the key properties of 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54852097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).