2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine

C16H26N4O2 — CID 112897491

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCNc1ccnc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C16H26N4O2/c1-13(2)3-7-17-14-4-8-18-15(19-14)20-9-5-16(6-10-20)21-11-12-22-16/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,17,18,19)
InChIKeyUDIBAXXIOYGBFG-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.28
Rot. Bonds5

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine (PubChem CID 112897491) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine
PubChem CID112897491
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine
SMILESCC(C)CCNc1ccnc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C16H26N4O2/c1-13(2)3-7-17-14-4-8-18-15(19-14)20-9-5-16(6-10-20)21-11-12-22-16/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,17,18,19)
InChIKeyUDIBAXXIOYGBFG-UHFFFAOYSA-N
XLogP2.28
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884684
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2,4,6-trimethylphenyl)pyrimidin-4-amine
CID 112897507
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112956478
N-(2-methylpropyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112883142
N-(3-bromophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
CID 112897545
N-(1,3-benzodioxol-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
CID 112897546
N'-(2-morpholin-4-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 121204896
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 117079763
ethyl 2-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]amino]benzoate
CID 112897560
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[5-(3-methylbutylamino)-2-pyridinyl]methanone
CID 109193809
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1,2,4-triazin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 112944751
N-(3-methylbutyl)-3-morpholin-4-yl-1,2,4-triazin-5-amine
CID 112944274

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine (CID 112897491) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine is CC(C)CCNc1ccnc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine?
The InChIKey is UDIBAXXIOYGBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(2)3-7-17-14-4-8-18-15(19-14)20-9-5-16(6-10-20)21-11-12-22-16/h4,8,13H,3,5-7,9-12H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine has a molecular weight of 306.41 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-methylbutyl)pyrimidin-4-amine is sourced from PubChem (CID 112897491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).