2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine

C10H14N8OS — CID 80885688

IUPAC2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(OC)nc(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C10H14N8OS/c1-3-13-7-16-8(19-2)18-10(17-7)20-9-14-5(11)4-6(12)15-9/h4H,3H2,1-2H3,(H4,11,12,14,15)(H,13,16,17,18)
InChIKeyZPBRBMBPODWGGO-UHFFFAOYSA-N
MW294.34 g/mol
LogP0.42
Rot. Bonds5

About 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine

2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine (PubChem CID 80885688) has the molecular formula C10H14N8OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
PubChem CID80885688
Molecular FormulaC10H14N8OS
Molecular Weight294.34 g/mol
Exact Mass294.10
IUPAC Name2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
SMILESCCNc1nc(OC)nc(Sc2nc(N)cc(N)n2)n1
InChIInChI=1S/C10H14N8OS/c1-3-13-7-16-8(19-2)18-10(17-7)20-9-14-5(11)4-6(12)15-9/h4H,3H2,1-2H3,(H4,11,12,14,15)(H,13,16,17,18)
InChIKeyZPBRBMBPODWGGO-UHFFFAOYSA-N
XLogP0.42
TPSA137.75 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
N-ethyl-4-methoxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872033
N-ethyl-4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
CID 80892730
4-(2,4-difluorophenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893899
N-ethyl-4-methoxy-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80888545
N-ethyl-4-methoxy-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885392
N-ethyl-4-methoxy-6-(1-methyltetrazol-5-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80887079
N-ethyl-4-methoxy-6-[(3-methylphenyl)methylsulfanyl]-1,3,5-triazin-2-amine
CID 80890079
4-[(4-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 46734070
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887898
4-(3-chlorophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80892069
4-(3-bromophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80889128

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine (CID 80885688) is 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine is CCNc1nc(OC)nc(Sc2nc(N)cc(N)n2)n1.
What is the InChIKey of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine?
The InChIKey is ZPBRBMBPODWGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N8OS/c1-3-13-7-16-8(19-2)18-10(17-7)20-9-14-5(11)4-6(12)15-9/h4H,3H2,1-2H3,(H4,11,12,14,15)(H,13,16,17,18).
What are the key properties of 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine?
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine has a molecular weight of 294.34 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80885688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).