N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine

C16H26N4O2 — CID 112862664

IUPACN-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C16H26N4O2/c1-3-4-7-19(2)14-12-15(18-13-17-14)20-8-5-16(6-9-20)21-10-11-22-16/h12-13H,3-11H2,1-2H3
InChIKeyITQFNZGGURSHJK-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.06
Rot. Bonds5

About N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine

N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine (PubChem CID 112862664) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine
PubChem CID112862664
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine
SMILESCCCCN(C)c1cc(N2CCC3(CC2)OCCO3)ncn1
InChIInChI=1S/C16H26N4O2/c1-3-4-7-19(2)14-12-15(18-13-17-14)20-8-5-16(6-9-20)21-10-11-22-16/h12-13H,3-11H2,1-2H3
InChIKeyITQFNZGGURSHJK-UHFFFAOYSA-N
XLogP2.06
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine
CID 112922847
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethyl-N-phenylpyrimidin-4-amine
CID 112862686
N-butyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpyrimidin-4-amine
CID 112863711
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109352486
[5-[butyl(methyl)amino]pyrazin-2-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109285959
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)pyrimidin-4-amine
CID 112855305
2-[methyl-(6-piperazin-1-ylpyrimidin-4-yl)amino]ethanol
CID 121206050
8-[6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112862654
N-butyl-6-fluoro-N-methylpyrimidin-4-amine
CID 115416253
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112856693
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide
CID 109349485

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine (CID 112862664) is N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine is CCCCN(C)c1cc(N2CCC3(CC2)OCCO3)ncn1.
What is the InChIKey of N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine?
The InChIKey is ITQFNZGGURSHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-4-7-19(2)14-12-15(18-13-17-14)20-8-5-16(6-9-20)21-10-11-22-16/h12-13H,3-11H2,1-2H3.
What are the key properties of N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine?
N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine has a molecular weight of 306.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 112862664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).