2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine

C16H21N7S2 — CID 40895118

IUPAC2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(S[C@@H](C)c2nc(N)nc(N(C)C)n2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H21N7S2/c1-7-8(2)24-13-11(7)14(19-10(4)18-13)25-9(3)12-20-15(17)22-16(21-12)23(5)6/h9H,1-6H3,(H2,17,20,21,22)/t9-/m0/s1
InChIKeyLGTZXLGQMYYHCR-VIFPVBQESA-N
MW375.53 g/mol
LogP3.30
Rot. Bonds4

About 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 40895118) has the molecular formula C16H21N7S2 and a molecular weight of 375.53 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
PubChem CID40895118
Molecular FormulaC16H21N7S2
Molecular Weight375.53 g/mol
Exact Mass375.13
IUPAC Name2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(S[C@@H](C)c2nc(N)nc(N(C)C)n2)c2c(C)c(C)sc2n1
InChIInChI=1S/C16H21N7S2/c1-7-8(2)24-13-11(7)14(19-10(4)18-13)25-9(3)12-20-15(17)22-16(21-12)23(5)6/h9H,1-6H3,(H2,17,20,21,22)/t9-/m0/s1
InChIKeyLGTZXLGQMYYHCR-VIFPVBQESA-N
XLogP3.30
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine (CID 40895118) is 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine is Cc1nc(S[C@@H](C)c2nc(N)nc(N(C)C)n2)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LGTZXLGQMYYHCR-VIFPVBQESA-N. The full InChI is InChI=1S/C16H21N7S2/c1-7-8(2)24-13-11(7)14(19-10(4)18-13)25-9(3)12-20-15(17)22-16(21-12)23(5)6/h9H,1-6H3,(H2,17,20,21,22)/t9-/m0/s1.
What are the key properties of 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 375.53 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(1S)-1-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 40895118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).