N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide

C19H21N5O — CID 75447829

IUPACN-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nccc(N)n2)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H21N5O/c1-13-10-16(14(2)24(13)12-15-6-4-3-5-7-15)19(25)22-11-18-21-9-8-17(20)23-18/h3-10H,11-12H2,1-2H3,(H,22,25)(H2,20,21,23)
InChIKeyHAXXOBCIQISIKA-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.46
Rot. Bonds5

About N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide

N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 75447829) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID75447829
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2nccc(N)n2)c(C)n1Cc1ccccc1
InChIInChI=1S/C19H21N5O/c1-13-10-16(14(2)24(13)12-15-6-4-3-5-7-15)19(25)22-11-18-21-9-8-17(20)23-18/h3-10H,11-12H2,1-2H3,(H,22,25)(H2,20,21,23)
InChIKeyHAXXOBCIQISIKA-UHFFFAOYSA-N
XLogP2.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrrole-3-carboxamide
CID 86979094
N-(2-aminoethyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383546
1-benzyl-2,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]pyrrole-3-carboxamide
CID 75511767
1-benzyl-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34463265
1-benzyl-2,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrole-3-carboxamide
CID 34438181
N-(2-amino-2-ethylbutyl)-1-benzyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119641511
1-benzyl-2,5-dimethylpyrrole-3-carboxamide
CID 47108355
N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86983262
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39878072
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)amino]propanediamide
CID 56807575
1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
CID 55451237
1-benzyl-N-[4-(carbamoylamino)phenyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55528829

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide (CID 75447829) is N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)NCc2nccc(N)n2)c(C)n1Cc1ccccc1.
What is the InChIKey of N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is HAXXOBCIQISIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-10-16(14(2)24(13)12-15-6-4-3-5-7-15)19(25)22-11-18-21-9-8-17(20)23-18/h3-10H,11-12H2,1-2H3,(H,22,25)(H2,20,21,23).
What are the key properties of N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide?
N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminopyrimidin-2-yl)methyl]-1-benzyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 75447829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).