(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

C12H18N4 — CID 3233093

IUPAC(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CC[C@@]3(CCCNC3)C2)nc1
InChIInChI=1S/C12H18N4/c1-3-12(9-13-5-1)4-8-16(10-12)11-14-6-2-7-15-11/h2,6-7,13H,1,3-5,8-10H2/t12-/m1/s1
InChIKeyUNWSKTNURIHUQX-GFCCVEGCSA-N
MW218.30 g/mol
LogP1.06
Rot. Bonds1

About (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane

(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 3233093) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID3233093
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
SMILESc1cnc(N2CC[C@@]3(CCCNC3)C2)nc1
InChIInChI=1S/C12H18N4/c1-3-12(9-13-5-1)4-8-16(10-12)11-14-6-2-7-15-11/h2,6-7,13H,1,3-5,8-10H2/t12-/m1/s1
InChIKeyUNWSKTNURIHUQX-GFCCVEGCSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
[4-(2-Dipropylamino-ethyl)-cyclohexyl]-pyrimidin-2-yl-amine
CID 10756932
Pyrimidine, 2-hexylamino-
CID 53318062
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
2-Pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3233309
3-(Pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 3234323
4-(2,7-Diazaspiro[3.5]nonan-7-yl)pyrimidin-2-amine
CID 49857014
(2,2-Dimethyl-propyl)-(4-piperazin-1-yl-pyrimidin-2-yl)-amine
CID 58227381
4-(2-Pyrimidinyl)-1-piperazinebutanamine
CID 12840705
methyl (5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 3233892
2-Pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 3234830
8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane
CID 657506

Frequently Asked Questions

What is the IUPAC name of (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane (CID 3233093) is (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is c1cnc(N2CC[C@@]3(CCCNC3)C2)nc1.
What is the InChIKey of (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is UNWSKTNURIHUQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-12(9-13-5-1)4-8-16(10-12)11-14-6-2-7-15-11/h2,6-7,13H,1,3-5,8-10H2/t12-/m1/s1.
What are the key properties of (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane?
(5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 218.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 3233093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).