2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C15H17N3O — CID 106472008

IUPAC2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(CCc2ccccc2)nc2c1COCC2
InChIInChI=1S/C15H17N3O/c16-15-12-10-19-9-8-13(12)17-14(18-15)7-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17,18)
InChIKeyXXTOCRIFAZJXKC-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.92
Rot. Bonds3

About 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472008) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472008
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(CCc2ccccc2)nc2c1COCC2
InChIInChI=1S/C15H17N3O/c16-15-12-10-19-9-8-13(12)17-14(18-15)7-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17,18)
InChIKeyXXTOCRIFAZJXKC-UHFFFAOYSA-N
XLogP1.92
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473494
2-(3-aminopropyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 105461903
2-(2-methoxyethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471922
2-[(4-chlorophenyl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471831
2-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)acetic acid
CID 105462637
2-(ethoxymethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472035
2-(ethylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471981
2-(2-aminoethyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
CID 105461902
4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
CID 136982295
2-(3-aminopropyl)-5,6,8,9-tetrahydrooxepino[4,5-d]pyrimidin-4-amine
CID 105479388
N-ethyl-2-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62190523
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471931

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472008) is 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is Nc1nc(CCc2ccccc2)nc2c1COCC2.
What is the InChIKey of 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is XXTOCRIFAZJXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-15-12-10-19-9-8-13(12)17-14(18-15)7-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,16,17,18).
What are the key properties of 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).