7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one

C14H19ClN4O — CID 89000764

IUPAC7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one
SMILESCc1cnc(Cl)nc1NC1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C14H19ClN4O/c1-9-7-16-13(15)19-12(9)18-10-3-2-4-14(5-10)6-11(20)17-8-14/h7,10H,2-6,8H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyTUHBIZRLWDMLBN-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.30
Rot. Bonds2

About 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one

7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one (PubChem CID 89000764) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one
PubChem CID89000764
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one
SMILESCc1cnc(Cl)nc1NC1CCCC2(CNC(=O)C2)C1
InChIInChI=1S/C14H19ClN4O/c1-9-7-16-13(15)19-12(9)18-10-3-2-4-14(5-10)6-11(20)17-8-14/h7,10H,2-6,8H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyTUHBIZRLWDMLBN-UHFFFAOYSA-N
XLogP2.30
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one (CID 89000764) is 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one is Cc1cnc(Cl)nc1NC1CCCC2(CNC(=O)C2)C1.
What is the InChIKey of 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one?
The InChIKey is TUHBIZRLWDMLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-9-7-16-13(15)19-12(9)18-10-3-2-4-14(5-10)6-11(20)17-8-14/h7,10H,2-6,8H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one?
7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one has a molecular weight of 294.79 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-5-methylpyrimidin-4-yl)amino]-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 89000764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).