3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile

C18H17N5S — CID 15947165

IUPAC3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile
SMILESC[C@@]1(c2cc(-c3cccc(C#N)c3)cs2)CC2=NCCN2C(N)=N1
InChIInChI=1S/C18H17N5S/c1-18(9-16-21-5-6-23(16)17(20)22-18)15-8-14(11-24-15)13-4-2-3-12(7-13)10-19/h2-4,7-8,11H,5-6,9H2,1H3,(H2,20,22)/t18-/m0/s1
InChIKeySZWMEACVHLGGRM-SFHVURJKSA-N
MW335.44 g/mol
LogP2.93
Rot. Bonds2

About 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile

3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile (PubChem CID 15947165) has the molecular formula C18H17N5S and a molecular weight of 335.44 g/mol. Its IUPAC name is 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile
PubChem CID15947165
Molecular FormulaC18H17N5S
Molecular Weight335.44 g/mol
Exact Mass335.12
IUPAC Name3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile
SMILESC[C@@]1(c2cc(-c3cccc(C#N)c3)cs2)CC2=NCCN2C(N)=N1
InChIInChI=1S/C18H17N5S/c1-18(9-16-21-5-6-23(16)17(20)22-18)15-8-14(11-24-15)13-4-2-3-12(7-13)10-19/h2-4,7-8,11H,5-6,9H2,1H3,(H2,20,22)/t18-/m0/s1
InChIKeySZWMEACVHLGGRM-SFHVURJKSA-N
XLogP2.93
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile?
The IUPAC name of 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile (CID 15947165) is 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile.
What is the SMILES notation for 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile?
The canonical SMILES for 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile is C[C@@]1(c2cc(-c3cccc(C#N)c3)cs2)CC2=NCCN2C(N)=N1.
What is the InChIKey of 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile?
The InChIKey is SZWMEACVHLGGRM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17N5S/c1-18(9-16-21-5-6-23(16)17(20)22-18)15-8-14(11-24-15)13-4-2-3-12(7-13)10-19/h2-4,7-8,11H,5-6,9H2,1H3,(H2,20,22)/t18-/m0/s1.
What are the key properties of 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile?
3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile has a molecular weight of 335.44 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(7S)-5-amino-7-methyl-3,8-dihydro-2H-imidazo[1,2-c]pyrimidin-7-yl]thiophen-3-yl]benzonitrile is sourced from PubChem (CID 15947165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).