1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

C17H19ClN4 — CID 135110515

IUPAC1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCc1ncc2c(n1)C1(CCCN(c3ccc(Cl)cn3)C1)CC2
InChIInChI=1S/C17H19ClN4/c1-12-19-9-13-5-7-17(16(13)21-12)6-2-8-22(11-17)15-4-3-14(18)10-20-15/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyPEMJWNULJGYGOF-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.32
Rot. Bonds1

About 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]

1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (PubChem CID 135110515) has the molecular formula C17H19ClN4 and a molecular weight of 314.82 g/mol. Its IUPAC name is 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].

Molecular Properties

Compound Name1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
PubChem CID135110515
Molecular FormulaC17H19ClN4
Molecular Weight314.82 g/mol
Exact Mass314.13
IUPAC Name1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
SMILESCc1ncc2c(n1)C1(CCCN(c3ccc(Cl)cn3)C1)CC2
InChIInChI=1S/C17H19ClN4/c1-12-19-9-13-5-7-17(16(13)21-12)6-2-8-22(11-17)15-4-3-14(18)10-20-15/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyPEMJWNULJGYGOF-UHFFFAOYSA-N
XLogP3.32
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] with MolForge

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Related Compounds

1'-(6-chloroquinolin-4-yl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163315465
2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile
CID 163314786
N,N-dimethyl-1'-(2-methylpyrimidin-4-yl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-2-amine
CID 135106083
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312
1'-[(3-chlorothiophen-2-yl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 135118798
2-methyl-1'-(oxan-4-ylmethyl)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 164698243
7-(5-chloro-2-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane
CID 56749174
3,7-dimethyl-8-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)purine-2,6-dione
CID 135120631
(4-chloro-1-methylpyrazol-3-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163314676
cyclopent-3-en-1-yl-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163313837
2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)sulfonylbenzoic acid
CID 135104277
(2-ethylphenyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135118382

Frequently Asked Questions

What is the IUPAC name of 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The IUPAC name of 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] (CID 135110515) is 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine].
What is the SMILES notation for 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The canonical SMILES for 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is Cc1ncc2c(n1)C1(CCCN(c3ccc(Cl)cn3)C1)CC2.
What is the InChIKey of 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
The InChIKey is PEMJWNULJGYGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4/c1-12-19-9-13-5-7-17(16(13)21-12)6-2-8-22(11-17)15-4-3-14(18)10-20-15/h3-4,9-10H,2,5-8,11H2,1H3.
What are the key properties of 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]?
1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] has a molecular weight of 314.82 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-chloro-2-pyridinyl)-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine] is sourced from PubChem (CID 135110515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).