(4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C15H20N4O3 — CID 95212780

IUPAC(4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2cc(C3CC3)on2)[C@@H](C)NC(=O)N1
InChIInChI=1S/C15H20N4O3/c1-8-13(9(2)17-15(21)16-8)14(20)19(3)7-11-6-12(22-18-11)10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,16,17,21)/t8-/m1/s1
InChIKeyNVTHTGWMJASELU-MRVPVSSYSA-N
MW304.35 g/mol
LogP1.49
Rot. Bonds4

About (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

(4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 95212780) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID95212780
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)N(C)Cc2cc(C3CC3)on2)[C@@H](C)NC(=O)N1
InChIInChI=1S/C15H20N4O3/c1-8-13(9(2)17-15(21)16-8)14(20)19(3)7-11-6-12(22-18-11)10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,16,17,21)/t8-/m1/s1
InChIKeyNVTHTGWMJASELU-MRVPVSSYSA-N
XLogP1.49
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 95212780) is (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)N(C)Cc2cc(C3CC3)on2)[C@@H](C)NC(=O)N1.
What is the InChIKey of (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is NVTHTGWMJASELU-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-8-13(9(2)17-15(21)16-8)14(20)19(3)7-11-6-12(22-18-11)10-4-5-10/h6,8,10H,4-5,7H2,1-3H3,(H2,16,17,21)/t8-/m1/s1.
What are the key properties of (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
(4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-N,4,6-trimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 95212780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).