N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine

C12H16ClN3S — CID 62188469

IUPACN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H16ClN3S/c1-3-4-6-16(2)8-10-14-11(13)9-5-7-17-12(9)15-10/h5,7H,3-4,6,8H2,1-2H3
InChIKeyCHADQOHDKQXBIR-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.58
Rot. Bonds5

About N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine

N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine (PubChem CID 62188469) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine
PubChem CID62188469
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine
SMILESCCCCN(C)Cc1nc(Cl)c2ccsc2n1
InChIInChI=1S/C12H16ClN3S/c1-3-4-6-16(2)8-10-14-11(13)9-5-7-17-12(9)15-10/h5,7H,3-4,6,8H2,1-2H3
InChIKeyCHADQOHDKQXBIR-UHFFFAOYSA-N
XLogP3.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine?
The IUPAC name of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine (CID 62188469) is N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine.
What is the SMILES notation for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine?
The canonical SMILES for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine is CCCCN(C)Cc1nc(Cl)c2ccsc2n1.
What is the InChIKey of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine?
The InChIKey is CHADQOHDKQXBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-3-4-6-16(2)8-10-14-11(13)9-5-7-17-12(9)15-10/h5,7H,3-4,6,8H2,1-2H3.
What are the key properties of N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine?
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine has a molecular weight of 269.80 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylbutan-1-amine is sourced from PubChem (CID 62188469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).