6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C14H19N3OS — CID 3156005

IUPAC6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCCO3)nc(C)nc2s1
InChIInChI=1S/C14H19N3OS/c1-3-11-7-12-13(15-8-10-5-4-6-18-10)16-9(2)17-14(12)19-11/h7,10H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyKTCVCKLOAPVDJB-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.15
Rot. Bonds4

About 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 3156005) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID3156005
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCCO3)nc(C)nc2s1
InChIInChI=1S/C14H19N3OS/c1-3-11-7-12-13(15-8-10-5-4-6-18-10)16-9(2)17-14(12)19-11/h7,10H,3-6,8H2,1-2H3,(H,15,16,17)
InChIKeyKTCVCKLOAPVDJB-UHFFFAOYSA-N
XLogP3.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 3156005) is 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCC3CCCO3)nc(C)nc2s1.
What is the InChIKey of 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KTCVCKLOAPVDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-11-7-12-13(15-8-10-5-4-6-18-10)16-9(2)17-14(12)19-11/h7,10H,3-6,8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3156005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).