4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide

C20H23N5O — CID 97443112

IUPAC4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(-c2cnc(NCc3ccccc3)nc2)cn1C
InChIInChI=1S/C20H23N5O/c1-3-9-21-19(26)18-10-16(14-25(18)2)17-12-23-20(24-13-17)22-11-15-7-5-4-6-8-15/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyVCUSWWHDILBDQI-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.23
Rot. Bonds7

About 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide

4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide (PubChem CID 97443112) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide
PubChem CID97443112
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide
SMILESCCCNC(=O)c1cc(-c2cnc(NCc3ccccc3)nc2)cn1C
InChIInChI=1S/C20H23N5O/c1-3-9-21-19(26)18-10-16(14-25(18)2)17-12-23-20(24-13-17)22-11-15-7-5-4-6-8-15/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyVCUSWWHDILBDQI-UHFFFAOYSA-N
XLogP3.23
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 97443116
1-methyl-N-(2-phenylethyl)-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyrrole-2-carboxamide
CID 97407332
4-(2-anilinopyrimidin-5-yl)-1-methyl-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 97443109
4-(2-anilinopyrimidin-5-yl)-N-[(2,4-difluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 97361620
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
4-iodo-1-methyl-N-propylpyrrole-2-carboxamide
CID 168679993
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
4-[2-(benzylamino)pyrimidin-5-yl]-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 53108683
1-methyl-4-(methylamino)-N-propylpyrrole-2-carboxamide
CID 156823683
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
1-methyl-4-(2-phenylpyrimidin-5-yl)pyrrole-2-carboxylic acid
CID 121229531

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide?
The IUPAC name of 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide (CID 97443112) is 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide is CCCNC(=O)c1cc(-c2cnc(NCc3ccccc3)nc2)cn1C.
What is the InChIKey of 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide?
The InChIKey is VCUSWWHDILBDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-9-21-19(26)18-10-16(14-25(18)2)17-12-23-20(24-13-17)22-11-15-7-5-4-6-8-15/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide?
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-propylpyrrole-2-carboxamide is sourced from PubChem (CID 97443112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).