N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

C12H16ClN3S — CID 82309246

IUPACN-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCCN(C)c1nc(Cl)c2cc(C)sc2n1
InChIInChI=1S/C12H16ClN3S/c1-4-5-6-16(3)12-14-10(13)9-7-8(2)17-11(9)15-12/h7H,4-6H2,1-3H3
InChIKeyHOLZWQWJGMGLSL-UHFFFAOYSA-N
MW269.80 g/mol
LogP3.89
Rot. Bonds4

About N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine

N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309246) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309246
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC NameN-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCCCCN(C)c1nc(Cl)c2cc(C)sc2n1
InChIInChI=1S/C12H16ClN3S/c1-4-5-6-16(3)12-14-10(13)9-7-8(2)17-11(9)15-12/h7H,4-6H2,1-3H3
InChIKeyHOLZWQWJGMGLSL-UHFFFAOYSA-N
XLogP3.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N,N-dimethyl-6-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309241
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
4-chloro-6-ethyl-N,N-dipropylthieno[2,3-d]pyrimidin-2-amine
CID 82309139
N-butyl-4-chloro-N,7-dimethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-amine
CID 82309251
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 62483143
4-chloro-2-(4-ethylpiperazin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 82309156
4-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324624
2-chloro-N-(2-ethoxyethyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103322184
4-chloro-2-(3,5-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidine
CID 82309122
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614537
N-butyl-2-ethyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine;N-cyclobutyl-2-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 165100393
4,6-dichloro-N-methyl-N-octadecyl-1,3,5-triazin-2-amine
CID 3103368

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 82309246) is N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CCCCN(C)c1nc(Cl)c2cc(C)sc2n1.
What is the InChIKey of N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is HOLZWQWJGMGLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-4-5-6-16(3)12-14-10(13)9-7-8(2)17-11(9)15-12/h7H,4-6H2,1-3H3.
What are the key properties of N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 269.80 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).