N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine

C12H17N3S — CID 13038322

IUPACN-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCC(C)Nc1ncnc2sccc12
InChIInChI=1S/C12H17N3S/c1-3-4-5-9(2)15-11-10-6-7-16-12(10)14-8-13-11/h6-9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyFBZWRGNTGPJVQD-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.68
Rot. Bonds5

About N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine

N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 13038322) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID13038322
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCC(C)Nc1ncnc2sccc12
InChIInChI=1S/C12H17N3S/c1-3-4-5-9(2)15-11-10-6-7-16-12(10)14-8-13-11/h6-9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyFBZWRGNTGPJVQD-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxybutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 62735152
2-N-thieno[2,3-d]pyrimidin-4-ylpropane-1,2-diamine
CID 63732565
2-(thieno[2,3-d]pyrimidin-4-ylamino)pentanoic acid
CID 43631382
2-methyl-N-octan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038230
N-[1-(4-fluorophenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 60966377
N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-[1-(2-methylphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 67605109
(2R)-3-methyl-2-(thieno[2,3-d]pyrimidin-4-ylamino)butanoic acid
CID 93263493
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
N-[1-(2-methoxyphenyl)propan-2-yl]thieno[2,3-d]pyrimidin-4-amine
CID 67604920
N-heptan-2-ylquinazolin-4-amine
CID 54950682
N-[(1S)-1-(4-methylphenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 155460692

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 13038322) is N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine is CCCCC(C)Nc1ncnc2sccc12.
What is the InChIKey of N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FBZWRGNTGPJVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-3-4-5-9(2)15-11-10-6-7-16-12(10)14-8-13-11/h6-9H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine?
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 235.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13038322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).