(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

C13H20N4 — CID 95222078

IUPAC(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCc1ccnc(N2CC[C@]3(CCCNC3)C2)n1
InChIInChI=1S/C13H20N4/c1-11-3-7-15-12(16-11)17-8-5-13(10-17)4-2-6-14-9-13/h3,7,14H,2,4-6,8-10H2,1H3/t13-/m0/s1
InChIKeyYHOVLQAKQLNDTC-ZDUSSCGKSA-N
MW232.33 g/mol
LogP1.36
Rot. Bonds1

About (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane

(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (PubChem CID 95222078) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
PubChem CID95222078
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
SMILESCc1ccnc(N2CC[C@]3(CCCNC3)C2)n1
InChIInChI=1S/C13H20N4/c1-11-3-7-15-12(16-11)17-8-5-13(10-17)4-2-6-14-9-13/h3,7,14H,2,4-6,8-10H2,1H3/t13-/m0/s1
InChIKeyYHOVLQAKQLNDTC-ZDUSSCGKSA-N
XLogP1.36
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
CID 170131044
2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690
2-(5-ethylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 56756393
2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 56750395
2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane
CID 152657407
(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 95203740
[4-(2,9-diazaspiro[4.5]decan-2-yl)-6-methylpyrimidin-2-yl]methanol
CID 166266789
9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916042
2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
CID 102850610
2-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonane
CID 176625968
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017
2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane
CID 102850615

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane (CID 95222078) is (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is Cc1ccnc(N2CC[C@]3(CCCNC3)C2)n1.
What is the InChIKey of (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
The InChIKey is YHOVLQAKQLNDTC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N4/c1-11-3-7-15-12(16-11)17-8-5-13(10-17)4-2-6-14-9-13/h3,7,14H,2,4-6,8-10H2,1H3/t13-/m0/s1.
What are the key properties of (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane?
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane has a molecular weight of 232.33 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 95222078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).