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

C18H18N6O3 — CID 70751645

IUPACN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NC[C@H]1CCc2ccccc2O1)c1cnc(Cn2cncn2)[nH]c1=O
InChIInChI=1S/C18H18N6O3/c25-17(21-7-13-6-5-12-3-1-2-4-15(12)27-13)14-8-20-16(23-18(14)26)9-24-11-19-10-22-24/h1-4,8,10-11,13H,5-7,9H2,(H,21,25)(H,20,23,26)/t13-/m1/s1
InChIKeyFTXITUSRAXPEAT-CYBMUJFWSA-N
MW366.38 g/mol
LogP0.53
Rot. Bonds5

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

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70751645) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70751645
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NC[C@H]1CCc2ccccc2O1)c1cnc(Cn2cncn2)[nH]c1=O
InChIInChI=1S/C18H18N6O3/c25-17(21-7-13-6-5-12-3-1-2-4-15(12)27-13)14-8-20-16(23-18(14)26)9-24-11-19-10-22-24/h1-4,8,10-11,13H,5-7,9H2,(H,21,25)(H,20,23,26)/t13-/m1/s1
InChIKeyFTXITUSRAXPEAT-CYBMUJFWSA-N
XLogP0.53
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 70738724
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 74230092
6-oxo-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97148817
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97121154
5-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidin-6-one
CID 97128769
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 77082448
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 134128099
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 97115290
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42363556
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70739570
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 74243443
N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42929631

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 70751645) is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(NC[C@H]1CCc2ccccc2O1)c1cnc(Cn2cncn2)[nH]c1=O.
What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is FTXITUSRAXPEAT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N6O3/c25-17(21-7-13-6-5-12-3-1-2-4-15(12)27-13)14-8-20-16(23-18(14)26)9-24-11-19-10-22-24/h1-4,8,10-11,13H,5-7,9H2,(H,21,25)(H,20,23,26)/t13-/m1/s1.
What are the key properties of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide?
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-6-oxo-2-(1,2,4-triazol-1-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70751645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).