2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

C14H15ClN4O — CID 54852140

IUPAC2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2cccc(Cl)c2)c1C(=O)N(C)C
InChIInChI=1S/C14H15ClN4O/c1-8-11(13(20)19(2)3)12(18-14(16)17-8)9-5-4-6-10(15)7-9/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyZCPALOUCQUSYTG-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.39
Rot. Bonds2

About 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide

2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (PubChem CID 54852140) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
PubChem CID54852140
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(-c2cccc(Cl)c2)c1C(=O)N(C)C
InChIInChI=1S/C14H15ClN4O/c1-8-11(13(20)19(2)3)12(18-14(16)17-8)9-5-4-6-10(15)7-9/h4-7H,1-3H3,(H2,16,17,18)
InChIKeyZCPALOUCQUSYTG-UHFFFAOYSA-N
XLogP2.39
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
2-amino-4-(2-bromophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852429
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026
2-amino-4-(3-butoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853822
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
ethyl 2-amino-4-(3-chlorophenyl)thieno[2,3-d]pyrimidine-6-carboxylate
CID 11232887
3-(2,6-diamino-5-cyanopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 169398285
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
6-(3-chlorophenyl)-5-(2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 174665315
2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850597
2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
CID 54854058

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide (CID 54852140) is 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is Cc1nc(N)nc(-c2cccc(Cl)c2)c1C(=O)N(C)C.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
The InChIKey is ZCPALOUCQUSYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-8-11(13(20)19(2)3)12(18-14(16)17-8)9-5-4-6-10(15)7-9/h4-7H,1-3H3,(H2,16,17,18).
What are the key properties of 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide?
2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-N,N,6-trimethylpyrimidine-5-carboxamide is sourced from PubChem (CID 54852140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).