2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C12H14ClN5S — CID 114268167

IUPAC2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESClc1nc2c(c(NCCCn3ccnc3)n1)SCC2
InChIInChI=1S/C12H14ClN5S/c13-12-16-9-2-7-19-10(9)11(17-12)15-3-1-5-18-6-4-14-8-18/h4,6,8H,1-3,5,7H2,(H,15,16,17)
InChIKeyAMEBPPVEEVDCON-UHFFFAOYSA-N
MW295.80 g/mol
LogP2.48
Rot. Bonds5

About 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 114268167) has the molecular formula C12H14ClN5S and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID114268167
Molecular FormulaC12H14ClN5S
Molecular Weight295.80 g/mol
Exact Mass295.07
IUPAC Name2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESClc1nc2c(c(NCCCn3ccnc3)n1)SCC2
InChIInChI=1S/C12H14ClN5S/c13-12-16-9-2-7-19-10(9)11(17-12)15-3-1-5-18-6-4-14-8-18/h4,6,8H,1-3,5,7H2,(H,15,16,17)
InChIKeyAMEBPPVEEVDCON-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-imidazol-1-ylpropyl)pteridin-4-amine
CID 82459615
6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460088
4,6-dichloro-N-(4-imidazol-1-ylbutyl)-1,3,5-triazin-2-amine
CID 55124703
5-chloro-4-N-(3-imidazol-1-ylpropyl)-2-N-methylpyrimidine-2,4-diamine
CID 80753932
4-chloro-N-(3-imidazol-1-ylpropyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869150
4-chloro-N-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydroquinazolin-2-amine
CID 82461164
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
6-chloro-N-(3-imidazol-1-ylpropyl)-5-nitropyrimidin-4-amine
CID 23477420
1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one
CID 62938441
N-(3-imidazol-1-ylpropyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 35475062
5,7-dichloro-N-(3-imidazol-1-ylpropyl)-2,1,3-benzothiadiazol-4-amine
CID 65476228

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 114268167) is 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Clc1nc2c(c(NCCCn3ccnc3)n1)SCC2.
What is the InChIKey of 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is AMEBPPVEEVDCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5S/c13-12-16-9-2-7-19-10(9)11(17-12)15-3-1-5-18-6-4-14-8-18/h4,6,8H,1-3,5,7H2,(H,15,16,17).
What are the key properties of 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 295.80 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-imidazol-1-ylpropyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 114268167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).