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

C20H26N4O2 — CID 112932556

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(-c2ccccc2)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H26N4O2/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/h3-7,15H,2,8-14H2,1H3,(H,21,22,23)
InChIKeyAYZOZUQVHUSTBS-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.31
Rot. Bonds5

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

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine (PubChem CID 112932556) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine
PubChem CID112932556
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(-c2ccccc2)cc(N2CCC3(CC2)OCCO3)n1
InChIInChI=1S/C20H26N4O2/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/h3-7,15H,2,8-14H2,1H3,(H,21,22,23)
InChIKeyAYZOZUQVHUSTBS-UHFFFAOYSA-N
XLogP3.31
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenylpyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112936186
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-prop-2-enylpyrimidin-2-amine
CID 112933440
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
4-(azepan-1-yl)-N-butyl-6-phenylpyrimidin-2-amine
CID 112933669
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938548
8-(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 112935398
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
8-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 112934777
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851395
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 112911551
4-N-(2-morpholin-4-ylethyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932516
1-[4-[2-(2-methoxyethylamino)-6-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112934992

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine (CID 112932556) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine is CCCNc1nc(-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-propylpyrimidin-2-amine?
The InChIKey is AYZOZUQVHUSTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/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/h3-7,15H,2,8-14H2,1H3,(H,21,22,23).
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-phenyl-N-propylpyrimidin-2-amine has a molecular weight of 354.45 g/mol, XLogP of 3.31, 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-propylpyrimidin-2-amine is sourced from PubChem (CID 112932556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).