2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one

C14H20ClN3O2 — CID 86700702

IUPAC2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one
SMILESCC(C)OCCN1CC2(CC2)Cn2c1nc(Cl)cc2=O
InChIInChI=1S/C14H20ClN3O2/c1-10(2)20-6-5-17-8-14(3-4-14)9-18-12(19)7-11(15)16-13(17)18/h7,10H,3-6,8-9H2,1-2H3
InChIKeyPVHHLYNXZONAEK-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.92
Rot. Bonds4

About 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one

2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one (PubChem CID 86700702) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one.

Molecular Properties

Compound Name2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one
PubChem CID86700702
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one
SMILESCC(C)OCCN1CC2(CC2)Cn2c1nc(Cl)cc2=O
InChIInChI=1S/C14H20ClN3O2/c1-10(2)20-6-5-17-8-14(3-4-14)9-18-12(19)7-11(15)16-13(17)18/h7,10H,3-6,8-9H2,1-2H3
InChIKeyPVHHLYNXZONAEK-UHFFFAOYSA-N
XLogP1.92
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one?
The IUPAC name of 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one (CID 86700702) is 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one.
What is the SMILES notation for 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one?
The canonical SMILES for 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one is CC(C)OCCN1CC2(CC2)Cn2c1nc(Cl)cc2=O.
What is the InChIKey of 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one?
The InChIKey is PVHHLYNXZONAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-10(2)20-6-5-17-8-14(3-4-14)9-18-12(19)7-11(15)16-13(17)18/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one?
2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one has a molecular weight of 297.79 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(2-propan-2-yloxyethyl)spiro[6,8-dihydropyrimido[1,2-a]pyrimidine-7,1'-cyclopropane]-4-one is sourced from PubChem (CID 86700702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).