N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine

C21H24N8O — CID 25118600

IUPACN-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine
SMILESCc1ncccc1Nc1ncnc2c1OCCN2C1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H24N8O/c1-15-17(4-2-7-22-15)27-19-18-20(26-14-25-19)29(12-13-30-18)16-5-10-28(11-6-16)21-23-8-3-9-24-21/h2-4,7-9,14,16H,5-6,10-13H2,1H3,(H,25,26,27)
InChIKeyNXVZNSBFMDYDCQ-UHFFFAOYSA-N
MW404.48 g/mol
LogP2.58
Rot. Bonds4

About N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine

N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine (PubChem CID 25118600) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine
PubChem CID25118600
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC NameN-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine
SMILESCc1ncccc1Nc1ncnc2c1OCCN2C1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H24N8O/c1-15-17(4-2-7-22-15)27-19-18-20(26-14-25-19)29(12-13-30-18)16-5-10-28(11-6-16)21-23-8-3-9-24-21/h2-4,7-9,14,16H,5-6,10-13H2,1H3,(H,25,26,27)
InChIKeyNXVZNSBFMDYDCQ-UHFFFAOYSA-N
XLogP2.58
TPSA92.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine?
The IUPAC name of N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine (CID 25118600) is N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine.
What is the SMILES notation for N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine?
The canonical SMILES for N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine is Cc1ncccc1Nc1ncnc2c1OCCN2C1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine?
The InChIKey is NXVZNSBFMDYDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O/c1-15-17(4-2-7-22-15)27-19-18-20(26-14-25-19)29(12-13-30-18)16-5-10-28(11-6-16)21-23-8-3-9-24-21/h2-4,7-9,14,16H,5-6,10-13H2,1H3,(H,25,26,27).
What are the key properties of N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine?
N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine has a molecular weight of 404.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyridinyl)-8-(1-pyrimidin-2-ylpiperidin-4-yl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-4-amine is sourced from PubChem (CID 25118600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).