4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine

C10H12ClN3S — CID 82309556

IUPAC4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Cl)c2cc(C(C)C)sc2n1
InChIInChI=1S/C10H12ClN3S/c1-5(2)7-4-6-8(11)13-10(12-3)14-9(6)15-7/h4-5H,1-3H3,(H,12,13,14)
InChIKeyQYTYRVPYHMWURI-UHFFFAOYSA-N
MW241.75 g/mol
LogP3.51
Rot. Bonds2

About 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine

4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 82309556) has the molecular formula C10H12ClN3S and a molecular weight of 241.75 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
PubChem CID82309556
Molecular FormulaC10H12ClN3S
Molecular Weight241.75 g/mol
Exact Mass241.04
IUPAC Name4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Cl)c2cc(C(C)C)sc2n1
InChIInChI=1S/C10H12ClN3S/c1-5(2)7-4-6-8(11)13-10(12-3)14-9(6)15-7/h4-5H,1-3H3,(H,12,13,14)
InChIKeyQYTYRVPYHMWURI-UHFFFAOYSA-N
XLogP3.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.75
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-ethyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309547
4-chloro-N-(2-methylpropyl)-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine
CID 82309544
2-chloro-N-methyl-5-propan-2-ylthiophen-3-amine
CID 155737734
4-chloro-6-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidin-2-amine
CID 82309387
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
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
2-N,6-dimethyl-4-N,4-N-bis(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325508
N,6-dimethyl-4-(3-propan-2-ylpyrazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331095
4-chloro-N-cyclohexyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309368
4-N-butan-2-yl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324085
4-N-ethyl-2-N,6-dimethyl-4-N-(2-methylbutyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103328905

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine (CID 82309556) is 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Cl)c2cc(C(C)C)sc2n1.
What is the InChIKey of 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is QYTYRVPYHMWURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3S/c1-5(2)7-4-6-8(11)13-10(12-3)14-9(6)15-7/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine?
4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 241.75 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-propan-2-ylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 82309556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).