6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C7H10N4S — CID 143852547

IUPAC6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(S)C2
InChIInChI=1S/C7H10N4S/c8-7-9-3-5-4-11(12)2-1-6(5)10-7/h3,12H,1-2,4H2,(H2,8,9,10)
InChIKeyUENUGIYDHANLKC-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.26
Rot. Bonds

About 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 143852547) has the molecular formula C7H10N4S and a molecular weight of 182.25 g/mol. Its IUPAC name is 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID143852547
Molecular FormulaC7H10N4S
Molecular Weight182.25 g/mol
Exact Mass182.06
IUPAC Name6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESNc1ncc2c(n1)CCN(S)C2
InChIInChI=1S/C7H10N4S/c8-7-9-3-5-4-11(12)2-1-6(5)10-7/h3,12H,1-2,4H2,(H2,8,9,10)
InChIKeyUENUGIYDHANLKC-UHFFFAOYSA-N
XLogP0.26
TPSA55.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

6-(pyrimidin-5-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913428
1-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)hexan-1-one
CID 68679098
5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine
CID 24912252
6-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24929895
6-[(2-chloro-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24911370
6-[(2,5-dimethylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24912567
6-[(3-bromo-1-benzothiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24910950
6-[(2,4,6-trimethoxyphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24928488
3-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-2-chlorophenol
CID 24929118
6-[(5-methyl-1-propylpyrazol-4-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24912861
(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-[3-(4-methylphenyl)thiophen-2-yl]methanone
CID 154799814
6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913806

Frequently Asked Questions

What is the IUPAC name of 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 143852547) is 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is Nc1ncc2c(n1)CCN(S)C2.
What is the InChIKey of 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is UENUGIYDHANLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4S/c8-7-9-3-5-4-11(12)2-1-6(5)10-7/h3,12H,1-2,4H2,(H2,8,9,10).
What are the key properties of 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 182.25 g/mol, XLogP of 0.26, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 143852547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).