4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine

C12H16ClN3S — CID 82309387

IUPAC4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Cl)nc(NCCC(C)C)nc2s1
InChIInChI=1S/C12H16ClN3S/c1-7(2)4-5-14-12-15-10(13)9-6-8(3)17-11(9)16-12/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyFZTDNPQQXIMIPR-UHFFFAOYSA-N
MW269.80 g/mol
LogP4.11
Rot. Bonds4

About 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine

4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309387) has the molecular formula C12H16ClN3S and a molecular weight of 269.80 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID82309387
Molecular FormulaC12H16ClN3S
Molecular Weight269.80 g/mol
Exact Mass269.08
IUPAC Name4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCc1cc2c(Cl)nc(NCCC(C)C)nc2s1
InChIInChI=1S/C12H16ClN3S/c1-7(2)4-5-14-12-15-10(13)9-6-8(3)17-11(9)16-12/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyFZTDNPQQXIMIPR-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
4-chloro-6-methyl-N-(3-propan-2-yloxypropyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309379
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309544
4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309547
2-chloro-6-methyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103321761
4-chloro-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82316501
2-N-ethyl-4-N,6-dimethyl-4-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325641
6-methyl-4-N-(3-methylbutan-2-yl)-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323240
4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309368
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 154289566
4-(4-chloropyrazol-1-yl)-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103331008

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine (CID 82309387) is 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine is Cc1cc2c(Cl)nc(NCCC(C)C)nc2s1.
What is the InChIKey of 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is FZTDNPQQXIMIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3S/c1-7(2)4-5-14-12-15-10(13)9-6-8(3)17-11(9)16-12/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine?
4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 269.80 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).