(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane

C16H26N4 — CID 95210934

IUPAC(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
SMILESCCCc1cnc(C)nc1N1CCC[C@@]2(CCNC2)C1
InChIInChI=1S/C16H26N4/c1-3-5-14-10-18-13(2)19-15(14)20-9-4-6-16(12-20)7-8-17-11-16/h10,17H,3-9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyASHUFPDWCMPRJF-INIZCTEOSA-N
MW274.41 g/mol
LogP2.32
Rot. Bonds3

About (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane

(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane (PubChem CID 95210934) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
PubChem CID95210934
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane
SMILESCCCc1cnc(C)nc1N1CCC[C@@]2(CCNC2)C1
InChIInChI=1S/C16H26N4/c1-3-5-14-10-18-13(2)19-15(14)20-9-4-6-16(12-20)7-8-17-11-16/h10,17H,3-9,11-12H2,1-2H3/t16-/m0/s1
InChIKeyASHUFPDWCMPRJF-INIZCTEOSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane (CID 95210934) is (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane is CCCc1cnc(C)nc1N1CCC[C@@]2(CCNC2)C1.
What is the InChIKey of (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
The InChIKey is ASHUFPDWCMPRJF-INIZCTEOSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-5-14-10-18-13(2)19-15(14)20-9-4-6-16(12-20)7-8-17-11-16/h10,17H,3-9,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane?
(5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane has a molecular weight of 274.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(2-methyl-5-propylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 95210934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).