4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine

C14H19N5OS — CID 102927014

IUPAC4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2cc(C)cc(C)n2)n1
InChIInChI=1S/C14H19N5OS/c1-5-6-15-12-17-13(20-4)19-14(18-12)21-11-8-9(2)7-10(3)16-11/h7-8H,5-6H2,1-4H3,(H,15,17,18,19)
InChIKeySXVGDTCQWDNWBN-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.87
Rot. Bonds6

About 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine

4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 102927014) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID102927014
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Sc2cc(C)cc(C)n2)n1
InChIInChI=1S/C14H19N5OS/c1-5-6-15-12-17-13(20-4)19-14(18-12)21-11-8-9(2)7-10(3)16-11/h7-8H,5-6H2,1-4H3,(H,15,17,18,19)
InChIKeySXVGDTCQWDNWBN-UHFFFAOYSA-N
XLogP2.87
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889440
4-methoxy-6-(2-methylfuran-3-yl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 107785128
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
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]sulfanyl]pyrimidine-4,6-diamine
CID 80885688
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-propylpyridin-2-amine
CID 102926949
4-(3,4-dimethylphenyl)sulfanyl-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80893106
4-ethoxy-6-(3-methylphenyl)sulfanyl-N-propyl-1,3,5-triazin-2-amine
CID 80883595
6-methoxy-2-N-[(3-methylthiophen-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80854981
4-methyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895254
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 102926985
4-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-propylthiadiazol-5-amine
CID 102925840

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 102927014) is 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(Sc2cc(C)cc(C)n2)n1.
What is the InChIKey of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is SXVGDTCQWDNWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-5-6-15-12-17-13(20-4)19-14(18-12)21-11-8-9(2)7-10(3)16-11/h7-8H,5-6H2,1-4H3,(H,15,17,18,19).
What are the key properties of 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 305.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 102927014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).