2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

C15H21ClN4S — CID 103321272

IUPAC2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCN(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C15H21ClN4S/c1-3-11-8-12-13(18-15(16)19-14(12)21-11)17-9-10-4-6-20(2)7-5-10/h8,10H,3-7,9H2,1-2H3,(H,17,18,19)
InChIKeyNHRORKFQXBRQDS-UHFFFAOYSA-N
MW324.88 g/mol
LogP3.66
Rot. Bonds4

About 2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103321272) has the molecular formula C15H21ClN4S and a molecular weight of 324.88 g/mol. Its IUPAC name is 2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID103321272
Molecular FormulaC15H21ClN4S
Molecular Weight324.88 g/mol
Exact Mass324.12
IUPAC Name2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCC3CCN(C)CC3)nc(Cl)nc2s1
InChIInChI=1S/C15H21ClN4S/c1-3-11-8-12-13(18-15(16)19-14(12)21-11)17-9-10-4-6-20(2)7-5-10/h8,10H,3-7,9H2,1-2H3,(H,17,18,19)
InChIKeyNHRORKFQXBRQDS-UHFFFAOYSA-N
XLogP3.66
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-ethyl-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321723
2-chloro-6-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320516
2-chloro-N-(2-cyclopentylethyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 103320769
2-chloro-6-ethyl-N-(2-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103322212
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
6-ethyl-2-N-methyl-4-N-(oxan-4-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327900
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
6-ethyl-4-N-(1-methylpiperidin-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324772

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 103321272) is 2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCC3CCN(C)CC3)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NHRORKFQXBRQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4S/c1-3-11-8-12-13(18-15(16)19-14(12)21-11)17-9-10-4-6-20(2)7-5-10/h8,10H,3-7,9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-ethyl-N-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 324.88 g/mol, XLogP of 3.66, 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-[(1-methylpiperidin-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103321272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).