N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine

C20H32N4O3 — CID 124819679

IUPACN,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
SMILESCN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)ncn1
InChIInChI=1S/C20H32N4O3/c1-23(2)18-11-19(22-15-21-18)24-13-20(14-24)17(6-10-27-20)5-9-26-12-16-3-7-25-8-4-16/h11,15-17H,3-10,12-14H2,1-2H3/t17-/m0/s1
InChIKeyUZXHTCGEXZXGHM-KRWDZBQOSA-N
MW376.50 g/mol
LogP1.97
Rot. Bonds7

About N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine

N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine (PubChem CID 124819679) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
PubChem CID124819679
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
SMILESCN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)ncn1
InChIInChI=1S/C20H32N4O3/c1-23(2)18-11-19(22-15-21-18)24-13-20(14-24)17(6-10-27-20)5-9-26-12-16-3-7-25-8-4-16/h11,15-17H,3-10,12-14H2,1-2H3/t17-/m0/s1
InChIKeyUZXHTCGEXZXGHM-KRWDZBQOSA-N
XLogP1.97
TPSA59.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(8S)-8-[(3-fluoro-2-pyridinyl)oxymethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
CID 124816596
N,N-dimethyl-6-[8-[2-(pyridin-2-ylamino)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine
CID 131657828
(8S)-2-[(3-methoxyphenyl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 124796778
2-[(3-methoxyphenyl)methyl]-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octane
CID 131658782
6-[8-(cyclopropylmethoxymethyl)-5-methyl-2,5-diazaspiro[3.5]nonan-2-yl]-N,N-dimethylpyrimidin-4-amine
CID 131658957
N,N-dimethyl-6-[(3S)-3-(propoxymethyl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 95137548
6-[(8S)-8-(cyclopropylmethoxymethyl)-5,5-dioxo-5λ6-thia-2-azaspiro[3.4]octan-2-yl]-N,N-dimethylpyrimidin-4-amine
CID 124820006
(2-methylphenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131658402
2-(5-fluoropyrimidin-2-yl)-8-(oxan-4-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octane
CID 131658300
4-[2-(oxan-4-ylmethoxy)ethyl]-1-oxa-8-azaspiro[4.5]decane
CID 131663423
(3-fluorophenyl)-[8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 131663304
6-[4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-N,N-dimethylpyrimidin-4-amine
CID 131652378

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine (CID 124819679) is N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine is CN(C)c1cc(N2CC3(C2)OCC[C@@H]3CCOCC2CCOCC2)ncn1.
What is the InChIKey of N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine?
The InChIKey is UZXHTCGEXZXGHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-23(2)18-11-19(22-15-21-18)24-13-20(14-24)17(6-10-27-20)5-9-26-12-16-3-7-25-8-4-16/h11,15-17H,3-10,12-14H2,1-2H3/t17-/m0/s1.
What are the key properties of N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine?
N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine has a molecular weight of 376.50 g/mol, XLogP of 1.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(8S)-8-[2-(oxan-4-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 124819679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).