4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C18H22N4O2 — CID 99780202

IUPAC4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1
InChIInChI=1S/C18H22N4O2/c1-12-10-13(2)21-18(20-12)22-15-7-5-14(6-8-15)17(23)19-11-16-4-3-9-24-16/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,19,23)(H,20,21,22)/t16-/m1/s1
InChIKeyGNFRRCIAOTXCJQ-MRXNPFEDSA-N
MW326.40 g/mol
LogP2.75
Rot. Bonds5

About 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 99780202) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID99780202
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESCc1cc(C)nc(Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1
InChIInChI=1S/C18H22N4O2/c1-12-10-13(2)21-18(20-12)22-15-7-5-14(6-8-15)17(23)19-11-16-4-3-9-24-16/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,19,23)(H,20,21,22)/t16-/m1/s1
InChIKeyGNFRRCIAOTXCJQ-MRXNPFEDSA-N
XLogP2.75
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide with MolForge

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Related Compounds

methyl 4-[[4-methyl-6-(oxolan-2-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112912533
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252451
2-(3-cyanoanilino)-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324832
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540
4-(3,5-dimethylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)benzamide
CID 42906161
N-(oxolan-2-ylmethyl)-5-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109228822
2-(4-acetylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300998
2,6-dimethyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 110849464
methyl N-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]carbamate
CID 713163
2-anilino-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97126626
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 99780202) is 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is Cc1cc(C)nc(Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)n1.
What is the InChIKey of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is GNFRRCIAOTXCJQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-10-13(2)21-18(20-12)22-15-7-5-14(6-8-15)17(23)19-11-16-4-3-9-24-16/h5-8,10,16H,3-4,9,11H2,1-2H3,(H,19,23)(H,20,21,22)/t16-/m1/s1.
What are the key properties of 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 99780202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).