2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane

C19H24N4 — CID 175901209

IUPAC2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane
SMILESc1ccc(C2NCC3(CCCCC3)N2Cc2ccncn2)cc1
InChIInChI=1S/C19H24N4/c1-3-7-16(8-4-1)18-21-14-19(10-5-2-6-11-19)23(18)13-17-9-12-20-15-22-17/h1,3-4,7-9,12,15,18,21H,2,5-6,10-11,13-14H2
InChIKeyUPQZEKQLYBOFJV-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.28
Rot. Bonds3

About 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane

2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane (PubChem CID 175901209) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane
PubChem CID175901209
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane
SMILESc1ccc(C2NCC3(CCCCC3)N2Cc2ccncn2)cc1
InChIInChI=1S/C19H24N4/c1-3-7-16(8-4-1)18-21-14-19(10-5-2-6-11-19)23(18)13-17-9-12-20-15-22-17/h1,3-4,7-9,12,15,18,21H,2,5-6,10-11,13-14H2
InChIKeyUPQZEKQLYBOFJV-UHFFFAOYSA-N
XLogP3.28
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

SB-220025
CID 5164
Msx-122
CID 11687907
4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
PF-670462
CID 51049607
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
3-(1H-imidazol-5-yl)pyridine
CID 3040177
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
3-(Imidazo(1,2-a)pyrimidin-2-yl)aniline
CID 1477845
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane?
The IUPAC name of 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane (CID 175901209) is 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane.
What is the SMILES notation for 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane?
The canonical SMILES for 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane is c1ccc(C2NCC3(CCCCC3)N2Cc2ccncn2)cc1.
What is the InChIKey of 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane?
The InChIKey is UPQZEKQLYBOFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-3-7-16(8-4-1)18-21-14-19(10-5-2-6-11-19)23(18)13-17-9-12-20-15-22-17/h1,3-4,7-9,12,15,18,21H,2,5-6,10-11,13-14H2.
What are the key properties of 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane?
2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane has a molecular weight of 308.43 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(pyrimidin-4-ylmethyl)-1,3-diazaspiro[4.5]decane is sourced from PubChem (CID 175901209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).