3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one

C14H21N5O — CID 10492654

IUPAC3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
SMILESCCCN1C(=O)N2CCCN=C2c2ncn(CCC)c21
InChIInChI=1S/C14H21N5O/c1-3-7-17-10-16-11-12-15-6-5-9-18(12)14(20)19(8-4-2)13(11)17/h10H,3-9H2,1-2H3
InChIKeyUOMMYEMWPBVPEJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.10
Rot. Bonds4

About 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one

3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one (PubChem CID 10492654) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one.

Molecular Properties

Compound Name3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
PubChem CID10492654
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one
SMILESCCCN1C(=O)N2CCCN=C2c2ncn(CCC)c21
InChIInChI=1S/C14H21N5O/c1-3-7-17-10-16-11-12-15-6-5-9-18(12)14(20)19(8-4-2)13(11)17/h10H,3-9H2,1-2H3
InChIKeyUOMMYEMWPBVPEJ-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 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The IUPAC name of 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one (CID 10492654) is 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one.
What is the SMILES notation for 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The canonical SMILES for 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one is CCCN1C(=O)N2CCCN=C2c2ncn(CCC)c21.
What is the InChIKey of 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
The InChIKey is UOMMYEMWPBVPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-7-17-10-16-11-12-15-6-5-9-18(12)14(20)19(8-4-2)13(11)17/h10H,3-9H2,1-2H3.
What are the key properties of 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one?
3,4-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 3,4-dipropyl-8,9-dihydro-7H-pyrimido[2,1-f]purin-5-one is sourced from PubChem (CID 10492654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).