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

C15H15N3O3 — CID 97278759

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1COc2ccccc2C1)c1cnc[nH]c1=O
InChIInChI=1S/C15H15N3O3/c19-14(12-7-16-9-18-15(12)20)17-6-10-5-11-3-1-2-4-13(11)21-8-10/h1-4,7,9-10H,5-6,8H2,(H,17,19)(H,16,18,20)/t10-/m1/s1
InChIKeyCWGLJSYIAJGFMV-SNVBAGLBSA-N
MW285.30 g/mol
LogP0.75
Rot. Bonds3

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

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97278759) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97278759
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC[C@@H]1COc2ccccc2C1)c1cnc[nH]c1=O
InChIInChI=1S/C15H15N3O3/c19-14(12-7-16-9-18-15(12)20)17-6-10-5-11-3-1-2-4-13(11)21-8-10/h1-4,7,9-10H,5-6,8H2,(H,17,19)(H,16,18,20)/t10-/m1/s1
InChIKeyCWGLJSYIAJGFMV-SNVBAGLBSA-N
XLogP0.75
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97278759) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC[C@@H]1COc2ccccc2C1)c1cnc[nH]c1=O.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is CWGLJSYIAJGFMV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-14(12-7-16-9-18-15(12)20)17-6-10-5-11-3-1-2-4-13(11)21-8-10/h1-4,7,9-10H,5-6,8H2,(H,17,19)(H,16,18,20)/t10-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97278759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).