4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide

C20H19N5O — CID 117079194

IUPAC4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide
SMILESNc1nc(Nc2ccccc2)cc(-c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C20H19N5O/c21-20-24-17(12-18(25-20)22-15-4-2-1-3-5-15)13-6-8-14(9-7-13)19(26)23-16-10-11-16/h1-9,12,16H,10-11H2,(H,23,26)(H3,21,22,24,25)
InChIKeyXQFKIAHQKNQBOF-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.36
Rot. Bonds5

About 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide

4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide (PubChem CID 117079194) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide
PubChem CID117079194
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide
SMILESNc1nc(Nc2ccccc2)cc(-c2ccc(C(=O)NC3CC3)cc2)n1
InChIInChI=1S/C20H19N5O/c21-20-24-17(12-18(25-20)22-15-4-2-1-3-5-15)13-6-8-14(9-7-13)19(26)23-16-10-11-16/h1-9,12,16H,10-11H2,(H,23,26)(H3,21,22,24,25)
InChIKeyXQFKIAHQKNQBOF-UHFFFAOYSA-N
XLogP3.36
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-6-(benzylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117083427
4-[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]-N-cyclopropylbenzamide
CID 117082741
4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 117081020
3-amino-4-anilino-N-cyclopropylbenzamide
CID 84819042
6-(4-acetylanilino)-N-cyclopropyl-2-phenylpyrimidine-4-carboxamide
CID 112851934
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 50783833
4-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 122571443
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720
6-(4-carbamoylphenyl)-N-cyclopropylpyridine-2-carboxamide
CID 117087014
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
4-(6-anilino-9-phenylpurin-2-yl)-N-cyclopropylbenzamide
CID 117083781
N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide?
The IUPAC name of 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide (CID 117079194) is 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide.
What is the SMILES notation for 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide?
The canonical SMILES for 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide is Nc1nc(Nc2ccccc2)cc(-c2ccc(C(=O)NC3CC3)cc2)n1.
What is the InChIKey of 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide?
The InChIKey is XQFKIAHQKNQBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-20-24-17(12-18(25-20)22-15-4-2-1-3-5-15)13-6-8-14(9-7-13)19(26)23-16-10-11-16/h1-9,12,16H,10-11H2,(H,23,26)(H3,21,22,24,25).
What are the key properties of 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide?
4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide has a molecular weight of 345.41 g/mol, XLogP of 3.36, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-anilinopyrimidin-4-yl)-N-cyclopropylbenzamide is sourced from PubChem (CID 117079194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).