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

C14H18ClN3OS — CID 103321723

IUPAC2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCOCC3)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3OS/c1-2-10-7-11-12(17-14(15)18-13(11)20-10)16-8-9-3-5-19-6-4-9/h7,9H,2-6,8H2,1H3,(H,16,17,18)
InChIKeyAWJRCORIQVLGAT-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.75
Rot. Bonds4

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

2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321723) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321723
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCOCC3)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3OS/c1-2-10-7-11-12(17-14(15)18-13(11)20-10)16-8-9-3-5-19-6-4-9/h7,9H,2-6,8H2,1H3,(H,16,17,18)
InChIKeyAWJRCORIQVLGAT-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321272
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327900
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
6-ethyl-2-hydrazinyl-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103333481
2-chloro-6-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320516
2-chloro-6-ethyl-N-[2-(oxolan-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321269
2-chloro-6-ethyl-N-(4-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320521
2-chloro-6-ethyl-N-(2-methoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322700
2-chloro-6-ethyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066432
2-chloro-6-ethyl-N-(3-methyl-2-propan-2-ylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322726
2-chloro-6-ethyl-N-(thiolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322745
2-chloro-6-ethyl-N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 82066400

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103321723) is 2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCC3CCOCC3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is AWJRCORIQVLGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-2-10-7-11-12(17-14(15)18-13(11)20-10)16-8-9-3-5-19-6-4-9/h7,9H,2-6,8H2,1H3,(H,16,17,18).
What are the key properties of 2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.84 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).