6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine

C14H17N5O3 — CID 69081540

IUPAC6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOCCOc1nc(N)nc2ccc(C3=NCCCO3)nc12
InChIInChI=1S/C14H17N5O3/c1-20-7-8-22-13-11-9(18-14(15)19-13)3-4-10(17-11)12-16-5-2-6-21-12/h3-4H,2,5-8H2,1H3,(H2,15,18,19)
InChIKeyYJCZSUJMGNNHGX-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.80
Rot. Bonds5

About 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine

6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 69081540) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID69081540
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine
SMILESCOCCOc1nc(N)nc2ccc(C3=NCCCO3)nc12
InChIInChI=1S/C14H17N5O3/c1-20-7-8-22-13-11-9(18-14(15)19-13)3-4-10(17-11)12-16-5-2-6-21-12/h3-4H,2,5-8H2,1H3,(H2,15,18,19)
InChIKeyYJCZSUJMGNNHGX-UHFFFAOYSA-N
XLogP0.80
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine (CID 69081540) is 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine is COCCOc1nc(N)nc2ccc(C3=NCCCO3)nc12.
What is the InChIKey of 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is YJCZSUJMGNNHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-20-7-8-22-13-11-9(18-14(15)19-13)3-4-10(17-11)12-16-5-2-6-21-12/h3-4H,2,5-8H2,1H3,(H2,15,18,19).
What are the key properties of 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine?
6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 303.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dihydro-4H-1,3-oxazin-2-yl)-4-(2-methoxyethoxy)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 69081540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).