1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

C18H20ClN5O — CID 154563906

IUPAC1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCC21CCCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C18H20ClN5O/c19-12-8-20-17(21-9-12)24-7-1-5-18(10-24)6-4-13-14(18)22-15(11-2-3-11)23-16(13)25/h8-9,11H,1-7,10H2,(H,22,23,25)
InChIKeyMCJUBYFWXDTRIZ-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.58
Rot. Bonds2

About 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one

1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (PubChem CID 154563906) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
PubChem CID154563906
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one
SMILESO=c1[nH]c(C2CC2)nc2c1CCC21CCCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C18H20ClN5O/c19-12-8-20-17(21-9-12)24-7-1-5-18(10-24)6-4-13-14(18)22-15(11-2-3-11)23-16(13)25/h8-9,11H,1-7,10H2,(H,22,23,25)
InChIKeyMCJUBYFWXDTRIZ-UHFFFAOYSA-N
XLogP2.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The IUPAC name of 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one (CID 154563906) is 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one.
What is the SMILES notation for 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The canonical SMILES for 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is O=c1[nH]c(C2CC2)nc2c1CCC21CCCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
The InChIKey is MCJUBYFWXDTRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c19-12-8-20-17(21-9-12)24-7-1-5-18(10-24)6-4-13-14(18)22-15(11-2-3-11)23-16(13)25/h8-9,11H,1-7,10H2,(H,22,23,25).
What are the key properties of 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one?
1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one has a molecular weight of 357.85 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-chloropyrimidin-2-yl)-2-cyclopropylspiro[5,6-dihydro-3H-cyclopenta[d]pyrimidine-7,3'-piperidine]-4-one is sourced from PubChem (CID 154563906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).