2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide

C14H16N4O — CID 107589970

IUPAC2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide
SMILESCCNc1cc(C)ccc1C(=O)Nc1cncnc1
InChIInChI=1S/C14H16N4O/c1-3-17-13-6-10(2)4-5-12(13)14(19)18-11-7-15-9-16-8-11/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeyWQKVMJMSANXKIL-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.47
Rot. Bonds4

About 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide

2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide (PubChem CID 107589970) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide
PubChem CID107589970
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide
SMILESCCNc1cc(C)ccc1C(=O)Nc1cncnc1
InChIInChI=1S/C14H16N4O/c1-3-17-13-6-10(2)4-5-12(13)14(19)18-11-7-15-9-16-8-11/h4-9,17H,3H2,1-2H3,(H,18,19)
InChIKeyWQKVMJMSANXKIL-UHFFFAOYSA-N
XLogP2.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589993
2-methyl-4-(propylamino)-N-pyrimidin-5-ylbenzamide
CID 107589959
4-(ethylamino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 81235983
2-(ethylamino)-5-methyl-N-phenylbenzamide
CID 62509479
2-(ethylamino)-N-pyrimidin-5-ylpyridine-3-carboxamide
CID 107589901
N-(2-chloro-4-methylphenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068441
4-(ethylamino)-6-methyl-N-pyridin-3-ylpyridine-3-carboxamide
CID 81235839
2-(3-hydroxyprop-1-ynyl)-5-methyl-N-pyrimidin-5-ylbenzamide
CID 107589604
N-(5-chloro-2-pyridinyl)-2-(ethylamino)-5-methylbenzamide
CID 62508806
4-(ethylamino)-6-methyl-N-(4-methylsulfanylphenyl)pyridine-3-carboxamide
CID 81237833
4-(ethylamino)-N-(2-fluoro-4-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81238867
N-(3,5-difluorophenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105068357

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide (CID 107589970) is 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide is CCNc1cc(C)ccc1C(=O)Nc1cncnc1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide?
The InChIKey is WQKVMJMSANXKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-17-13-6-10(2)4-5-12(13)14(19)18-11-7-15-9-16-8-11/h4-9,17H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide?
2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide has a molecular weight of 256.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 107589970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).