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

C15H17N3O — CID 106472866

IUPAC2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c3c(n2)CCOC3)c1C
InChIInChI=1S/C15H17N3O/c1-9-4-3-5-11(10(9)2)15-17-13-6-7-19-8-12(13)14(16)18-15/h3-5H,6-8H2,1-2H3,(H2,16,17,18)
InChIKeyRVNRWWGHMSJWNM-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.42
Rot. Bonds1

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

2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472866) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472866
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c3c(n2)CCOC3)c1C
InChIInChI=1S/C15H17N3O/c1-9-4-3-5-11(10(9)2)15-17-13-6-7-19-8-12(13)14(16)18-15/h3-5H,6-8H2,1-2H3,(H2,16,17,18)
InChIKeyRVNRWWGHMSJWNM-UHFFFAOYSA-N
XLogP2.42
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylphenyl)-5,7-dihydrofuro[3,4-d]pyrimidin-4-amine
CID 83862354
2-(2,3-dimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696451
2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471995
4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
CID 136982295
2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472857
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
4,6-bis(2,3-dimethylphenyl)-1,3,5-triazin-2-amine
CID 155659770
2-(2-ethylpyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472921
2-(3-bromofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106889312
2-(2-phenylethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472008
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471931
2-(2-chlorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472339

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472866) is 2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is Cc1cccc(-c2nc(N)c3c(n2)CCOC3)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is RVNRWWGHMSJWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-4-3-5-11(10(9)2)15-17-13-6-7-19-8-12(13)14(16)18-15/h3-5H,6-8H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).