N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H18N6OS — CID 106928518

IUPACN-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Sc2nc(C)co2)nc(N2CCCC2)n1
InChIInChI=1S/C13H18N6OS/c1-3-14-10-16-11(19-6-4-5-7-19)18-12(17-10)21-13-15-9(2)8-20-13/h8H,3-7H2,1-2H3,(H,14,16,17,18)
InChIKeyMQTNQBAEPWUDKP-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.35
Rot. Bonds5

About N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106928518) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106928518
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC NameN-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Sc2nc(C)co2)nc(N2CCCC2)n1
InChIInChI=1S/C13H18N6OS/c1-3-14-10-16-11(19-6-4-5-7-19)18-12(17-10)21-13-15-9(2)8-20-13/h8H,3-7H2,1-2H3,(H,14,16,17,18)
InChIKeyMQTNQBAEPWUDKP-UHFFFAOYSA-N
XLogP2.35
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-ethyl-4-(1,3-oxazol-2-ylsulfanyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928221
4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106928400
4-tert-butylsulfanyl-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80887435
2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 106928502
N-ethyl-4-pyrrolidin-1-yl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-amine
CID 80885488
N-ethyl-4-piperidin-1-yl-6-thiophen-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80872113
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
4-tert-butylsulfanyl-N-ethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80887169
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
4-N-ethyl-2-N-(3-methylpentan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106332036
4-N-ethyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770163
N-methyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80882736

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 106928518) is N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCNc1nc(Sc2nc(C)co2)nc(N2CCCC2)n1.
What is the InChIKey of N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is MQTNQBAEPWUDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-3-14-10-16-11(19-6-4-5-7-19)18-12(17-10)21-13-15-9(2)8-20-13/h8H,3-7H2,1-2H3,(H,14,16,17,18).
What are the key properties of N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 306.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106928518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).