N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine

C12H8BrN3S — CID 5328383

IUPACN-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C12H8BrN3S/c13-8-2-1-3-9(6-8)16-12-11-10(4-5-17-11)14-7-15-12/h1-7H,(H,14,15,16)
InChIKeyIKDNMRVPNRIVPS-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.20
Rot. Bonds2

About N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine

N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 5328383) has the molecular formula C12H8BrN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID5328383
Molecular FormulaC12H8BrN3S
Molecular Weight306.19 g/mol
Exact Mass304.96
IUPAC NameN-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3ccsc23)c1
InChIInChI=1S/C12H8BrN3S/c13-8-2-1-3-9(6-8)16-12-11-10(4-5-17-11)14-7-15-12/h1-7H,(H,14,15,16)
InChIKeyIKDNMRVPNRIVPS-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Piperazin-1-yl)thieno[3,2-d]pyrimidine
CID 2760428
Benzothieno[3,2-d]pyrimidine deriv. 61
CID 5328409
Benzothieno[3,2-d]pyrimidine deriv. 63
CID 5328411
Benzothieno[3,2-d]pyrimidine deriv. 64
CID 5328412
N-(3-bromophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2103474
Benzothieno[3,2-d]pyrimidine deriv. 53
CID 5328401
Benzothieno[3,2-d]pyrimidine deriv. 71
CID 5328419
Pyridothieno[3,2-d]pyrimidine deriv. 75
CID 5328423
Thiazolothieno[3,2-d]pyrimidine deriv. 76
CID 5328424
4-Anilinothieno[2,3-d]pyrimidine
CID 2477685
N-methylthieno[3,2-d]pyrimidin-4-amine
CID 23273491
Benzothieno[3,2-d]pyrimidine deriv. 67
CID 5328415

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine (CID 5328383) is N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine is Brc1cccc(Nc2ncnc3ccsc23)c1.
What is the InChIKey of N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is IKDNMRVPNRIVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S/c13-8-2-1-3-9(6-8)16-12-11-10(4-5-17-11)14-7-15-12/h1-7H,(H,14,15,16).
What are the key properties of N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine?
N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 306.19 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 5328383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).