4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide

C19H24N4O2 — CID 121497411

IUPAC4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCNc1cc(C)nc(-c2ccc(C(=O)NCCC3CCOC3)cc2)n1
InChIInChI=1S/C19H24N4O2/c1-13-11-17(20-2)23-18(22-13)15-3-5-16(6-4-15)19(24)21-9-7-14-8-10-25-12-14/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyIZBJZTGZVXBBKZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.65
Rot. Bonds6

About 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide

4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide (PubChem CID 121497411) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
PubChem CID121497411
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide
SMILESCNc1cc(C)nc(-c2ccc(C(=O)NCCC3CCOC3)cc2)n1
InChIInChI=1S/C19H24N4O2/c1-13-11-17(20-2)23-18(22-13)15-3-5-16(6-4-15)19(24)21-9-7-14-8-10-25-12-14/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyIZBJZTGZVXBBKZ-UHFFFAOYSA-N
XLogP2.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 125164487
4-(4-methylsulfonylphenyl)-N-[2-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 126447960
4-(5-methoxy-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 121494536
2-chloro-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114219715
4-(1-oxo-2H-isoquinolin-7-yl)-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 126432243
2-hydrazinyl-6-methyl-N-[2-(oxolan-3-yl)ethyl]pyrimidine-4-carboxamide
CID 114220716
N,N-dimethyl-5-[4-[2-(oxolan-3-yl)ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 121494638
2-methyl-N-[2-(oxolan-3-yl)ethyl]-5-sulfanylbenzamide
CID 114130503
1-ethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]indole-5-carboxamide
CID 125442573
4-(1,3-dimethylpyrazol-4-yl)-N-[3-[(3S)-oxolan-3-yl]propyl]benzamide
CID 125438742
3-chloro-4-iodo-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 113415088

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide?
The IUPAC name of 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide (CID 121497411) is 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide?
The canonical SMILES for 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide is CNc1cc(C)nc(-c2ccc(C(=O)NCCC3CCOC3)cc2)n1.
What is the InChIKey of 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide?
The InChIKey is IZBJZTGZVXBBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-11-17(20-2)23-18(22-13)15-3-5-16(6-4-15)19(24)21-9-7-14-8-10-25-12-14/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide?
4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-N-[2-(oxolan-3-yl)ethyl]benzamide is sourced from PubChem (CID 121497411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).