N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine

C17H28N4O2 — CID 112922847

IUPACN-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCCCCN(C)c1nc(C)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C17H28N4O2/c1-4-5-8-20(3)16-18-14(2)13-15(19-16)21-9-6-17(7-10-21)22-11-12-23-17/h13H,4-12H2,1-3H3
InChIKeyJTKMRZSCTSDPME-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.36
Rot. Bonds5

About N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine

N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine (PubChem CID 112922847) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine
PubChem CID112922847
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine
SMILESCCCCN(C)c1nc(C)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C17H28N4O2/c1-4-5-8-20(3)16-18-14(2)13-15(19-16)21-9-6-17(7-10-21)22-11-12-23-17/h13H,4-12H2,1-3H3
InChIKeyJTKMRZSCTSDPME-UHFFFAOYSA-N
XLogP2.36
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine with MolForge

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Related Compounds

4-(4-Methyl-6-piperidin-1-ylpyrimidin-2-yl)morpholine
CID 697254
4,6-Dimethyl-2-[3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 84590089
8-(4,6-Dimethyl-pyrimidin-2-yl)-1,4-dioxa-8-aza-spiro[4.5]decane
CID 33987694
8-(2,6-Dimethylpyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 45876192
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N,N,6-trimethylpyrimidin-4-amine
CID 95342290
4-methyl-6-[(3S)-3-(2-piperidin-1-ylethoxy)pyrrolidin-1-yl]pyrimidine
CID 97605877
4-[[(2R)-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]morpholine
CID 99714323
4-(4-Ethoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114564277
2-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133271312
N,N-dimethyl-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133453045
4-N,4-N-dimethyl-2-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133459265
2-[2-(methoxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133505446

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine (CID 112922847) is N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine is CCCCN(C)c1nc(C)cc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine?
The InChIKey is JTKMRZSCTSDPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-5-8-20(3)16-18-14(2)13-15(19-16)21-9-6-17(7-10-21)22-11-12-23-17/h13H,4-12H2,1-3H3.
What are the key properties of N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine?
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine has a molecular weight of 320.44 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine is sourced from PubChem (CID 112922847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).