2,5-diamino-6-methyl-1H-pyrimidine-4-thione

C5H8N4S — CID 3252085

IUPAC2,5-diamino-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1N
InChIInChI=1S/C5H8N4S/c1-2-3(6)4(10)9-5(7)8-2/h6H2,1H3,(H3,7,8,9,10)
InChIKeyPMMBEEJWQYHVNO-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.61
Rot. Bonds

About 2,5-diamino-6-methyl-1H-pyrimidine-4-thione

2,5-diamino-6-methyl-1H-pyrimidine-4-thione (PubChem CID 3252085) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2,5-diamino-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2,5-diamino-6-methyl-1H-pyrimidine-4-thione
PubChem CID3252085
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name2,5-diamino-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1N
InChIInChI=1S/C5H8N4S/c1-2-3(6)4(10)9-5(7)8-2/h6H2,1H3,(H3,7,8,9,10)
InChIKeyPMMBEEJWQYHVNO-UHFFFAOYSA-N
XLogP0.61
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Pyrimidinethiol, 2-amino-4-methyl-5-iodo-
CID 3034978
5,6-Diamino-2-methyl-4(1H)-pyrimidinethione
CID 5373477
2,5-Diamino-4-methyl-6-mercaptopyrimidine sulfide
CID 129873986
2-amino-5,6-dimethyl-1H-pyrimidine-4-thione
CID 45071863
2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione;ethane
CID 170732489
5-Amino-2-chloro-6-methylpyrimidine-4-thiol
CID 108138463
2-amino-6-methyl-5-(methylamino)-1H-pyrimidine-4-thione
CID 170732490
2-amino-5-(ethylideneamino)-6-methyl-1H-pyrimidine-4-thione
CID 170732542

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2,5-diamino-6-methyl-1H-pyrimidine-4-thione (CID 3252085) is 2,5-diamino-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2,5-diamino-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2,5-diamino-6-methyl-1H-pyrimidine-4-thione is Cc1[nH]c(N)nc(=S)c1N.
What is the InChIKey of 2,5-diamino-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is PMMBEEJWQYHVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-2-3(6)4(10)9-5(7)8-2/h6H2,1H3,(H3,7,8,9,10).
What are the key properties of 2,5-diamino-6-methyl-1H-pyrimidine-4-thione?
2,5-diamino-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 156.21 g/mol, XLogP of 0.61, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 3252085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).