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

C14H18ClN3OS — CID 103320932

IUPAC2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(CCOC)C3CC3)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3OS/c1-3-10-8-11-12(16-14(15)17-13(11)20-10)18(6-7-19-2)9-4-5-9/h8-9H,3-7H2,1-2H3
InChIKeyVAOAICPBOANYTC-UHFFFAOYSA-N
MW311.84 g/mol
LogP3.52
Rot. Bonds6

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

2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320932) has the molecular formula C14H18ClN3OS and a molecular weight of 311.84 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320932
Molecular FormulaC14H18ClN3OS
Molecular Weight311.84 g/mol
Exact Mass311.09
IUPAC Name2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(N(CCOC)C3CC3)nc(Cl)nc2s1
InChIInChI=1S/C14H18ClN3OS/c1-3-10-8-11-12(16-14(15)17-13(11)20-10)18(6-7-19-2)9-4-5-9/h8-9H,3-7H2,1-2H3
InChIKeyVAOAICPBOANYTC-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-6-ethyl-2-hydrazinyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103332146
4-N-cyclopropyl-2-N,6-diethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324607
N-butyl-N-cyclopropyl-6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103332655
1-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 103321162
2-chloro-6-ethyl-N,N-bis(trideuteriomethyl)thieno[2,3-d]pyrimidin-4-amine
CID 169436107
N'-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 103321374
2-chloro-6-ethyl-N-methyl-N-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321396
2-chloro-6-ethyl-N-(4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321377
1-(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)-N,N-dimethylpyrrolidin-3-amine
CID 103321619
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326475
4-N-cyclopropyl-6-ethyl-2-N,4-N-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324556
2-chloro-4-(2,6-dimethyloxan-4-yl)oxy-6-ethylthieno[2,3-d]pyrimidine
CID 103320232

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320932) is 2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(N(CCOC)C3CC3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VAOAICPBOANYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3OS/c1-3-10-8-11-12(16-14(15)17-13(11)20-10)18(6-7-19-2)9-4-5-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 311.84 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-6-ethyl-N-(2-methoxyethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).