2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine

C6H10N4OS — CID 60743638

IUPAC2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine
SMILESCOCSc1nc(N)cc(N)n1
InChIInChI=1S/C6H10N4OS/c1-11-3-12-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3,(H4,7,8,9,10)
InChIKeyDIVOCTFURJDYKH-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.34
Rot. Bonds3

About 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine

2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine (PubChem CID 60743638) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine
PubChem CID60743638
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine
SMILESCOCSc1nc(N)cc(N)n1
InChIInChI=1S/C6H10N4OS/c1-11-3-12-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3,(H4,7,8,9,10)
InChIKeyDIVOCTFURJDYKH-UHFFFAOYSA-N
XLogP0.34
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,4,6-Triaminopyrimidine
CID 13863
4-Amino-6-chloro-2-methylthiopyrimidine
CID 70496
6-Methylthio-pyrimidine-2,4-diamine
CID 235893
2-Methylthiopyrimidine-4,6-diamine
CID 70497
2-(4,6-Diaminopyrimidin-2-yl)sulfanylacetamide
CID 459830
[(4,6-Diamino-2-pyrimidinyl)sulfanyl]acetonitrile
CID 3167959
N4,N4-dimethyl-2-(methylthio)pyrimidine-4,6-diamine
CID 816994
2-((4,6-Diaminopyrimidin-2-yl)thio)acetic acid
CID 241013
2-Methylpyrimidine-4,6-diamine
CID 817709
4,6-Diamino-2-guanidinopyrimidine
CID 12789423
4,6-Diamino-2-guanidino-pyrimidine hydrochloride
CID 12789424
2-Ethylpyrimidine-4,6-diamine
CID 45080086

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine (CID 60743638) is 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine is COCSc1nc(N)cc(N)n1.
What is the InChIKey of 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine?
The InChIKey is DIVOCTFURJDYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-11-3-12-6-9-4(7)2-5(8)10-6/h2H,3H2,1H3,(H4,7,8,9,10).
What are the key properties of 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine?
2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine has a molecular weight of 186.24 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylsulfanyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 60743638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).