(7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one

C10H13N5O — CID 54583944

IUPAC(7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one
SMILESC[C@@H]1CN=C2c3c(ncn3C)N(C)C(=O)N21
InChIInChI=1S/C10H13N5O/c1-6-4-11-9-7-8(12-5-13(7)2)14(3)10(16)15(6)9/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyHKISLJPSAZWGQZ-ZCFIWIBFSA-N
MW219.25 g/mol
LogP0.44
Rot. Bonds

About (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one

(7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one (PubChem CID 54583944) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one.

Molecular Properties

Compound Name(7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one
PubChem CID54583944
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name(7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one
SMILESC[C@@H]1CN=C2c3c(ncn3C)N(C)C(=O)N21
InChIInChI=1S/C10H13N5O/c1-6-4-11-9-7-8(12-5-13(7)2)14(3)10(16)15(6)9/h5-6H,4H2,1-3H3/t6-/m1/s1
InChIKeyHKISLJPSAZWGQZ-ZCFIWIBFSA-N
XLogP0.44
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one?
The IUPAC name of (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one (CID 54583944) is (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one.
What is the SMILES notation for (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one?
The canonical SMILES for (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one is C[C@@H]1CN=C2c3c(ncn3C)N(C)C(=O)N21.
What is the InChIKey of (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one?
The InChIKey is HKISLJPSAZWGQZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13N5O/c1-6-4-11-9-7-8(12-5-13(7)2)14(3)10(16)15(6)9/h5-6H,4H2,1-3H3/t6-/m1/s1.
What are the key properties of (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one?
(7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one has a molecular weight of 219.25 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-1,4,7-trimethyl-7,8-dihydroimidazo[2,1-f]purin-5-one is sourced from PubChem (CID 54583944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).