(7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine

C12H19N5 — CID 54042198

IUPAC(7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine
SMILESCc1nc2c([nH]1)CN(C)C1=N[C@@H](C(C)C)CN12
InChIInChI=1S/C12H19N5/c1-7(2)9-6-17-11-10(13-8(3)14-11)5-16(4)12(17)15-9/h7,9H,5-6H2,1-4H3,(H,13,14)/t9-/m1/s1
InChIKeyLNDHGBPUDJNMDK-SECBINFHSA-N
MW233.32 g/mol
LogP1.36
Rot. Bonds1

About (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine

(7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine (PubChem CID 54042198) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine.

Molecular Properties

Compound Name(7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine
PubChem CID54042198
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name(7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine
SMILESCc1nc2c([nH]1)CN(C)C1=N[C@@H](C(C)C)CN12
InChIInChI=1S/C12H19N5/c1-7(2)9-6-17-11-10(13-8(3)14-11)5-16(4)12(17)15-9/h7,9H,5-6H2,1-4H3,(H,13,14)/t9-/m1/s1
InChIKeyLNDHGBPUDJNMDK-SECBINFHSA-N
XLogP1.36
TPSA47.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine?
The IUPAC name of (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine (CID 54042198) is (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine.
What is the SMILES notation for (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine?
The canonical SMILES for (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine is Cc1nc2c([nH]1)CN(C)C1=N[C@@H](C(C)C)CN12.
What is the InChIKey of (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine?
The InChIKey is LNDHGBPUDJNMDK-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N5/c1-7(2)9-6-17-11-10(13-8(3)14-11)5-16(4)12(17)15-9/h7,9H,5-6H2,1-4H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine?
(7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine has a molecular weight of 233.32 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-2,5-dimethyl-7-propan-2-yl-3,4,7,8-tetrahydroimidazo[2,1-b]purine is sourced from PubChem (CID 54042198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).