4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide

C24H23N5O — CID 10222448

IUPAC4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cccc(-c2cnc(N)nc2-c2c[nH]c(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C24H23N5O/c1-16-7-6-10-18(11-16)20-14-27-24(25)28-22(20)19-12-21(26-13-19)23(30)29(2)15-17-8-4-3-5-9-17/h3-14,26H,15H2,1-2H3,(H2,25,27,28)
InChIKeyDCFSKJGDHINHSO-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.30
Rot. Bonds5

About 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide

4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 10222448) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID10222448
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
SMILESCc1cccc(-c2cnc(N)nc2-c2c[nH]c(C(=O)N(C)Cc3ccccc3)c2)c1
InChIInChI=1S/C24H23N5O/c1-16-7-6-10-18(11-16)20-14-27-24(25)28-22(20)19-12-21(26-13-19)23(30)29(2)15-17-8-4-3-5-9-17/h3-14,26H,15H2,1-2H3,(H2,25,27,28)
InChIKeyDCFSKJGDHINHSO-UHFFFAOYSA-N
XLogP4.30
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 10222002
[4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 10297287
[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 22713601
[4-(2-amino-5-phenylpyrimidin-4-yl)-1H-pyrrol-2-yl] N-(2-pyridin-3-ylethyl)carbamate
CID 118221877
[4-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]-1H-pyrrol-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 10222483
3-amino-N-benzyl-N-methyl-1H-1,2,4-triazole-5-carboxamide
CID 55114994
2-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenylpyrimidine-4-carboxamide;N,N-dimethylformamide
CID 159797244
N-benzyl-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 51046454
2-amino-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-4-phenylpyrimidine-5-carboxamide
CID 74247903
4-(2-amino-5-methylpyrimidin-4-yl)-N-[(2-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 91899256
6-N-benzyl-6-N-methyl-2-N-(3-methylphenyl)pyridine-2,6-dicarboxamide
CID 109097681
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide (CID 10222448) is 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide is Cc1cccc(-c2cnc(N)nc2-c2c[nH]c(C(=O)N(C)Cc3ccccc3)c2)c1.
What is the InChIKey of 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is DCFSKJGDHINHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16-7-6-10-18(11-16)20-14-27-24(25)28-22(20)19-12-21(26-13-19)23(30)29(2)15-17-8-4-3-5-9-17/h3-14,26H,15H2,1-2H3,(H2,25,27,28).
What are the key properties of 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide?
4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(3-methylphenyl)pyrimidin-4-yl]-N-benzyl-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 10222448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).