1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one

C14H21N5O — CID 10492653

IUPAC1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
SMILESCCCN1C(=O)N2CCCN=C2c2c1ncn2CCC
InChIInChI=1S/C14H21N5O/c1-3-7-17-10-16-13-11(17)12-15-6-5-9-19(12)14(20)18(13)8-4-2/h10H,3-9H2,1-2H3
InChIKeyHQJWFUVSIOTUTJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.10
Rot. Bonds4

About 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one

1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one (PubChem CID 10492653) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one.

Molecular Properties

Compound Name1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
PubChem CID10492653
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
SMILESCCCN1C(=O)N2CCCN=C2c2c1ncn2CCC
InChIInChI=1S/C14H21N5O/c1-3-7-17-10-16-13-11(17)12-15-6-5-9-19(12)14(20)18(13)8-4-2/h10H,3-9H2,1-2H3
InChIKeyHQJWFUVSIOTUTJ-UHFFFAOYSA-N
XLogP2.10
TPSA53.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The IUPAC name of 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one (CID 10492653) is 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one.
What is the SMILES notation for 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The canonical SMILES for 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one is CCCN1C(=O)N2CCCN=C2c2c1ncn2CCC.
What is the InChIKey of 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The InChIKey is HQJWFUVSIOTUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-7-17-10-16-13-11(17)12-15-6-5-9-19(12)14(20)18(13)8-4-2/h10H,3-9H2,1-2H3.
What are the key properties of 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one has a molecular weight of 275.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one is sourced from PubChem (CID 10492653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).