4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine

C20H24N4O2 — CID 112933440

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(-c2ccccc2)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H24N4O2/c1-2-10-21-19-22-17(16-6-4-3-5-7-16)15-18(23-19)24-11-8-20(9-12-24)25-13-14-26-20/h2-7,15H,1,8-14H2,(H,21,22,23)
InChIKeyOAAPNUFUDJWMEY-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.08
Rot. Bonds5

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine (PubChem CID 112933440) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
PubChem CID112933440
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nc(-c2ccccc2)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H24N4O2/c1-2-10-21-19-22-17(16-6-4-3-5-7-16)15-18(23-19)24-11-8-20(9-12-24)25-13-14-26-20/h2-7,15H,1,8-14H2,(H,21,22,23)
InChIKeyOAAPNUFUDJWMEY-UHFFFAOYSA-N
XLogP3.08
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 950649
4-(2,6-Diphenyl-pyrimidin-4-yl)-morpholine
CID 656281
2-Pyrimidinamine, 4-phenyl-6-(1-piperidinyl)-
CID 879133
6-methyl-N-(4-methylphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 1868950
4-(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)morpholine
CID 25070911
N-benzyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 697249
N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 721057
N-benzyl-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 932203
2-N-(1-benzylpiperidin-4-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225982
N2,N2-dimethyl-N4-phenethyl-6-phenyl-pyrimidine-2,4-diamine
CID 5276801
5-[2-[4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-6-methylpyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073700
5-[2-[4-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-6-ethylpyrimidin-5-yl]ethynyl]pyridin-2-amine
CID 58073717

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine (CID 112933440) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nc(-c2ccccc2)cc(N2CCC3(CC2)OCCO3)n1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is OAAPNUFUDJWMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-10-21-19-22-17(16-6-4-3-5-7-16)15-18(23-19)24-11-8-20(9-12-24)25-13-14-26-20/h2-7,15H,1,8-14H2,(H,21,22,23).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 352.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 112933440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).