7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine

C19H23N5O — CID 58909801

IUPAC7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H23N5O/c1-19(2)16(23-15-17(20)21-12-22-18(15)25-19)13-6-8-14(9-7-13)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyARPXMHNCIIHMCD-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.34
Rot. Bonds2

About 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine

7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (PubChem CID 58909801) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
PubChem CID58909801
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine
SMILESCC1(C)Oc2ncnc(N)c2N=C1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H23N5O/c1-19(2)16(23-15-17(20)21-12-22-18(15)25-19)13-6-8-14(9-7-13)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H2,20,21,22)
InChIKeyARPXMHNCIIHMCD-UHFFFAOYSA-N
XLogP3.34
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The IUPAC name of 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine (CID 58909801) is 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine.
What is the SMILES notation for 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The canonical SMILES for 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is CC1(C)Oc2ncnc(N)c2N=C1c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
The InChIKey is ARPXMHNCIIHMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-19(2)16(23-15-17(20)21-12-22-18(15)25-19)13-6-8-14(9-7-13)24-10-4-3-5-11-24/h6-9,12H,3-5,10-11H2,1-2H3,(H2,20,21,22).
What are the key properties of 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine?
7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-(4-piperidin-1-ylphenyl)pyrimido[4,5-b][1,4]oxazin-4-amine is sourced from PubChem (CID 58909801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).