(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane

C12H18N4 — CID 170131044

IUPAC(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
SMILESCc1ccnc(N2CC[C@]3(CCNC3)C2)n1
InChIInChI=1S/C12H18N4/c1-10-2-5-14-11(15-10)16-7-4-12(9-16)3-6-13-8-12/h2,5,13H,3-4,6-9H2,1H3/t12-/m0/s1
InChIKeyUDMMOPHCEJEBHR-LBPRGKRZSA-N
MW218.30 g/mol
LogP0.97
Rot. Bonds1

About (5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane

(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane (PubChem CID 170131044) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
PubChem CID170131044
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
SMILESCc1ccnc(N2CC[C@]3(CCNC3)C2)n1
InChIInChI=1S/C12H18N4/c1-10-2-5-14-11(15-10)16-7-4-12(9-16)3-6-13-8-12/h2,5,13H,3-4,6-9H2,1H3/t12-/m0/s1
InChIKeyUDMMOPHCEJEBHR-LBPRGKRZSA-N
XLogP0.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
2-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonane
CID 176625968
5-(2,7-diazaspiro[4.4]nonan-2-yl)-1,2-oxazole
CID 10081310
9-(4-methylpyrimidin-2-yl)-6-oxa-9-azaspiro[4.5]decane
CID 71916042
2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690
2-(2,7-diazaspiro[4.4]nonan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 112740371
2-pyridin-3-yl-2,7-diazaspiro[4.4]nonane
CID 10262309
2-(2,3-dimethylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028706
2-(3-methylphenyl)-2,7-diazaspiro[4.4]nonane
CID 117028701
6-(2,7-diazaspiro[4.4]nonan-2-yl)quinoline
CID 82537940
4-(2,7-diazaspiro[4.5]decan-7-yl)-6-methylpyrido[3,2-d]pyrimidine;dihydrochloride
CID 154919890
ethane;4-methyl-2-pyrrolidin-1-ylpyrimidine
CID 178079017

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane (CID 170131044) is (5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane is Cc1ccnc(N2CC[C@]3(CCNC3)C2)n1.
What is the InChIKey of (5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane?
The InChIKey is UDMMOPHCEJEBHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N4/c1-10-2-5-14-11(15-10)16-7-4-12(9-16)3-6-13-8-12/h2,5,13H,3-4,6-9H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane?
(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane has a molecular weight of 218.30 g/mol, XLogP of 0.97, 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)-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 170131044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).