2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine

C14H18ClN3OS — CID 103321205

IUPAC2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCN(c1nc(Cl)nc2sccc12)C(C)C1CC1
InChIInChI=1S/C14H18ClN3OS/c1-9(10-3-4-10)18(6-7-19-2)12-11-5-8-20-13(11)17-14(15)16-12/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyQSNYPQXPAFIRHD-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.60
Rot. Bonds6

About 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321205) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321205
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOCCN(c1nc(Cl)nc2sccc12)C(C)C1CC1
InChIInChI=1S/C14H18ClN3OS/c1-9(10-3-4-10)18(6-7-19-2)12-11-5-8-20-13(11)17-14(15)16-12/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyQSNYPQXPAFIRHD-UHFFFAOYSA-N
XLogP3.60
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.84
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103321205) is 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine is COCCN(c1nc(Cl)nc2sccc12)C(C)C1CC1.
What is the InChIKey of 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QSNYPQXPAFIRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-9(10-3-4-10)18(6-7-19-2)12-11-5-8-20-13(11)17-14(15)16-12/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.84 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).