N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

C12H16BrN3S — CID 104555275

IUPACN-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)C(C)CBr)c2c1C
InChIInChI=1S/C12H16BrN3S/c1-7(5-13)16(4)11-10-8(2)9(3)17-12(10)15-6-14-11/h6-7H,5H2,1-4H3
InChIKeyGOWACTWDNBPADZ-UHFFFAOYSA-N
MW314.25 g/mol
LogP3.53
Rot. Bonds3

About N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine

N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 104555275) has the molecular formula C12H16BrN3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID104555275
Molecular FormulaC12H16BrN3S
Molecular Weight314.25 g/mol
Exact Mass313.02
IUPAC NameN-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(N(C)C(C)CBr)c2c1C
InChIInChI=1S/C12H16BrN3S/c1-7(5-13)16(4)11-10-8(2)9(3)17-12(10)15-6-14-11/h6-7H,5H2,1-4H3
InChIKeyGOWACTWDNBPADZ-UHFFFAOYSA-N
XLogP3.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,N,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 146120860
N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63392466
N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N'-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62585499
1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 78962197
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]ethanesulfonamide
CID 138030516
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-propylamino]acetic acid
CID 61006901
N-(2-bromocyclohexyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 102637670
methyl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoate
CID 62006529
N-[(2-aminophenyl)methyl]-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 60869060
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]butanoate
CID 62004622
1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-ethylpropan-2-amine
CID 63199392
N,5,6-trimethyl-N-pyrrolidin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63301843

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine (CID 104555275) is N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(N(C)C(C)CBr)c2c1C.
What is the InChIKey of N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GOWACTWDNBPADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3S/c1-7(5-13)16(4)11-10-8(2)9(3)17-12(10)15-6-14-11/h6-7H,5H2,1-4H3.
What are the key properties of N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine?
N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 314.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 104555275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).