N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine

C12H16N6OS — CID 80887898

IUPACN-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(Sc2ncccn2)n1
InChIInChI=1S/C12H16N6OS/c1-3-8-19-10-16-9(13-4-2)17-12(18-10)20-11-14-6-5-7-15-11/h5-7H,3-4,8H2,1-2H3,(H,13,16,17,18)
InChIKeyNZZSMCDGNBDPNH-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.03
Rot. Bonds7

About N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine

N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80887898) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80887898
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC NameN-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NCC)nc(Sc2ncccn2)n1
InChIInChI=1S/C12H16N6OS/c1-3-8-19-10-16-9(13-4-2)17-12(18-10)20-11-14-6-5-7-15-11/h5-7H,3-4,8H2,1-2H3,(H,13,16,17,18)
InChIKeyNZZSMCDGNBDPNH-UHFFFAOYSA-N
XLogP2.03
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924638
N-ethyl-4-propan-2-yloxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80887629
4-(2,2-difluoroethoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 82010193
4-[(3-chloro-2-pyridinyl)sulfanyl]-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80890904
4-(3,3-dimethylbutoxy)-N-ethyl-6-propoxy-1,3,5-triazin-2-amine
CID 80877652
2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114944769
N-ethyl-4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80861519
N-methyl-4-phenylsulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80887454
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
2-N,4-N-diethyl-6-hexadecoxy-1,3,5-triazine-2,4-diamine
CID 3103369
2-N,4-N-diethyl-6-octadecoxy-1,3,5-triazine-2,4-diamine
CID 146196905
methyl 3-[[4-(ethylamino)-6-propoxy-1,3,5-triazin-2-yl]sulfanyl]propanoate
CID 80885613

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine (CID 80887898) is N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine is CCCOc1nc(NCC)nc(Sc2ncccn2)n1.
What is the InChIKey of N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is NZZSMCDGNBDPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-3-8-19-10-16-9(13-4-2)17-12(18-10)20-11-14-6-5-7-15-11/h5-7H,3-4,8H2,1-2H3,(H,13,16,17,18).
What are the key properties of N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine?
N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 292.37 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-propoxy-6-pyrimidin-2-ylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).