N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide

C19H20N4O2 — CID 66644173

IUPACN-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide
SMILESCN1C(=O)C[C@](C)(c2cccc(NC(=O)c3ccccc3)c2)N=C1N
InChIInChI=1S/C19H20N4O2/c1-19(12-16(24)23(2)18(20)22-19)14-9-6-10-15(11-14)21-17(25)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H2,20,22)(H,21,25)/t19-/m1/s1
InChIKeyRHSPZMSNFDHTHE-LJQANCHMSA-N
MW336.40 g/mol
LogP2.33
Rot. Bonds3

About N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide

N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide (PubChem CID 66644173) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide
PubChem CID66644173
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide
SMILESCN1C(=O)C[C@](C)(c2cccc(NC(=O)c3ccccc3)c2)N=C1N
InChIInChI=1S/C19H20N4O2/c1-19(12-16(24)23(2)18(20)22-19)14-9-6-10-15(11-14)21-17(25)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H2,20,22)(H,21,25)/t19-/m1/s1
InChIKeyRHSPZMSNFDHTHE-LJQANCHMSA-N
XLogP2.33
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide?
The IUPAC name of N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide (CID 66644173) is N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide.
What is the SMILES notation for N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide?
The canonical SMILES for N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide is CN1C(=O)C[C@](C)(c2cccc(NC(=O)c3ccccc3)c2)N=C1N.
What is the InChIKey of N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide?
The InChIKey is RHSPZMSNFDHTHE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-19(12-16(24)23(2)18(20)22-19)14-9-6-10-15(11-14)21-17(25)13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H2,20,22)(H,21,25)/t19-/m1/s1.
What are the key properties of N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide?
N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide has a molecular weight of 336.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 66644173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).