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

C15H18N8O2S — CID 56709508

IUPAC6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCSc2nnnn2C)C(c2cccnc2)NC(=O)N1
InChIInChI=1S/C15H18N8O2S/c1-9-11(12(19-14(25)18-9)10-4-3-5-16-8-10)13(24)17-6-7-26-15-20-21-22-23(15)2/h3-5,8,12H,6-7H2,1-2H3,(H,17,24)(H2,18,19,25)
InChIKeyMMIRZFMPHQNIGP-UHFFFAOYSA-N
MW374.43 g/mol
LogP0.14
Rot. Bonds6

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

6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56709508) has the molecular formula C15H18N8O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID56709508
Molecular FormulaC15H18N8O2S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCC1=C(C(=O)NCCSc2nnnn2C)C(c2cccnc2)NC(=O)N1
InChIInChI=1S/C15H18N8O2S/c1-9-11(12(19-14(25)18-9)10-4-3-5-16-8-10)13(24)17-6-7-26-15-20-21-22-23(15)2/h3-5,8,12H,6-7H2,1-2H3,(H,17,24)(H2,18,19,25)
InChIKeyMMIRZFMPHQNIGP-UHFFFAOYSA-N
XLogP0.14
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4S)-6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95212969
(4S)-N-[2-(4-fluorophenoxy)ethyl]-6-methyl-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95197710
6-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56702277
2-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyridine-4-carboxamide
CID 77098009
2-cyclopropyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70752444
ethyl (4S)-4-(4-methylphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7457691
4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
CID 13203384
4-(3-hydroxyphenyl)-6-methyl-2-oxo-N-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 23960769
cis-(1R,2S)-1-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-N-prop-2-enylcyclohexane-1,2-dicarboxamide
CID 133118239
(7R)-N,N-diethyl-5-methyl-7-pyridin-3-yl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 135737296
(4R)-N-(3-imidazol-1-ylpropyl)-6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 95213208
3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide
CID 71866653

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56709508) is 6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is CC1=C(C(=O)NCCSc2nnnn2C)C(c2cccnc2)NC(=O)N1.
What is the InChIKey of 6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is MMIRZFMPHQNIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2S/c1-9-11(12(19-14(25)18-9)10-4-3-5-16-8-10)13(24)17-6-7-26-15-20-21-22-23(15)2/h3-5,8,12H,6-7H2,1-2H3,(H,17,24)(H2,18,19,25).
What are the key properties of 6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide?
6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 374.43 g/mol, XLogP of 0.14, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56709508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).