6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione

C15H16N6S — CID 24913558

IUPAC6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
SMILESCc1nc2ncccn2c1CN1CCc2[nH]c(=S)ncc2C1
InChIInChI=1S/C15H16N6S/c1-10-13(21-5-2-4-16-14(21)18-10)9-20-6-3-12-11(8-20)7-17-15(22)19-12/h2,4-5,7H,3,6,8-9H2,1H3,(H,17,19,22)
InChIKeyQUGTYIAGRVABRY-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.05
Rot. Bonds2

About 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione

6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione (PubChem CID 24913558) has the molecular formula C15H16N6S and a molecular weight of 312.40 g/mol. Its IUPAC name is 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione.

Molecular Properties

Compound Name6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
PubChem CID24913558
Molecular FormulaC15H16N6S
Molecular Weight312.40 g/mol
Exact Mass312.12
IUPAC Name6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
SMILESCc1nc2ncccn2c1CN1CCc2[nH]c(=S)ncc2C1
InChIInChI=1S/C15H16N6S/c1-10-13(21-5-2-4-16-14(21)18-10)9-20-6-3-12-11(8-20)7-17-15(22)19-12/h2,4-5,7H,3,6,8-9H2,1H3,(H,17,19,22)
InChIKeyQUGTYIAGRVABRY-UHFFFAOYSA-N
XLogP2.05
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913554
6-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24914650
2-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 82510170
6-[(2,5-dimethyl-1,3-oxazol-4-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24913621
6-[(3-fluoro-2-pyridinyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24917274
6-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24909547
6-propyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 53215345
6-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24912802
6-[(2-aminopyrimidin-5-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24913516
6-[(3,4,5-trimethoxyphenyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24929941
6-[[2,5-dimethyl-1-(3-methyl-2-pyridinyl)pyrrol-3-yl]methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24917106
6-[(3,5-dibromo-4-pyridinyl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione
CID 24915742

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The IUPAC name of 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione (CID 24913558) is 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione.
What is the SMILES notation for 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The canonical SMILES for 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione is Cc1nc2ncccn2c1CN1CCc2[nH]c(=S)ncc2C1.
What is the InChIKey of 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
The InChIKey is QUGTYIAGRVABRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6S/c1-10-13(21-5-2-4-16-14(21)18-10)9-20-6-3-12-11(8-20)7-17-15(22)19-12/h2,4-5,7H,3,6,8-9H2,1H3,(H,17,19,22).
What are the key properties of 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione?
6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione has a molecular weight of 312.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)methyl]-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thione is sourced from PubChem (CID 24913558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).