5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide

C10H10N6O2S — CID 136948162

IUPAC5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide
SMILESNC(=O)c1cc(Sc2nc(N)cc(=O)[nH]2)ncc1N
InChIInChI=1S/C10H10N6O2S/c11-5-3-14-8(1-4(5)9(13)18)19-10-15-6(12)2-7(17)16-10/h1-3H,11H2,(H2,13,18)(H3,12,15,16,17)
InChIKeyXHGOCSRVSQOPRR-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.42
Rot. Bonds3

About 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide

5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide (PubChem CID 136948162) has the molecular formula C10H10N6O2S and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide
PubChem CID136948162
Molecular FormulaC10H10N6O2S
Molecular Weight278.30 g/mol
Exact Mass278.06
IUPAC Name5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide
SMILESNC(=O)c1cc(Sc2nc(N)cc(=O)[nH]2)ncc1N
InChIInChI=1S/C10H10N6O2S/c11-5-3-14-8(1-4(5)9(13)18)19-10-15-6(12)2-7(17)16-10/h1-3H,11H2,(H2,13,18)(H3,12,15,16,17)
InChIKeyXHGOCSRVSQOPRR-UHFFFAOYSA-N
XLogP-0.42
TPSA153.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide (CID 136948162) is 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide is NC(=O)c1cc(Sc2nc(N)cc(=O)[nH]2)ncc1N.
What is the InChIKey of 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide?
The InChIKey is XHGOCSRVSQOPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2S/c11-5-3-14-8(1-4(5)9(13)18)19-10-15-6(12)2-7(17)16-10/h1-3H,11H2,(H2,13,18)(H3,12,15,16,17).
What are the key properties of 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide?
5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide has a molecular weight of 278.30 g/mol, XLogP of -0.42, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide is sourced from PubChem (CID 136948162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).