N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide

C8H13N5OS — CID 23423805

IUPACN-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide
SMILESCNc1nc(SC)nc(NC)c1NC=O
InChIInChI=1S/C8H13N5OS/c1-9-6-5(11-4-14)7(10-2)13-8(12-6)15-3/h4H,1-3H3,(H,11,14)(H2,9,10,12,13)
InChIKeyDQVQMUOJOSAVNZ-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.85
Rot. Bonds5

About N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide

N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide (PubChem CID 23423805) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide
PubChem CID23423805
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC NameN-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide
SMILESCNc1nc(SC)nc(NC)c1NC=O
InChIInChI=1S/C8H13N5OS/c1-9-6-5(11-4-14)7(10-2)13-8(12-6)15-3/h4H,1-3H3,(H,11,14)(H2,9,10,12,13)
InChIKeyDQVQMUOJOSAVNZ-UHFFFAOYSA-N
XLogP0.85
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide?
The IUPAC name of N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide (CID 23423805) is N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide.
What is the SMILES notation for N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide?
The canonical SMILES for N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide is CNc1nc(SC)nc(NC)c1NC=O.
What is the InChIKey of N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide?
The InChIKey is DQVQMUOJOSAVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-9-6-5(11-4-14)7(10-2)13-8(12-6)15-3/h4H,1-3H3,(H,11,14)(H2,9,10,12,13).
What are the key properties of N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide?
N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide has a molecular weight of 227.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(methylamino)-2-methylsulfanylpyrimidin-5-yl]formamide is sourced from PubChem (CID 23423805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).