N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine

C16H19N3O2 — CID 66326094

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC2CCOc3ccccc32)nc(C)n1
InChIInChI=1S/C16H19N3O2/c1-3-20-16-10-15(17-11(2)18-16)19-13-8-9-21-14-7-5-4-6-12(13)14/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyZOYYTAKUFJUFNX-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.12
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine

N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine (PubChem CID 66326094) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
PubChem CID66326094
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC2CCOc3ccccc32)nc(C)n1
InChIInChI=1S/C16H19N3O2/c1-3-20-16-10-15(17-11(2)18-16)19-13-8-9-21-14-7-5-4-6-12(13)14/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyZOYYTAKUFJUFNX-UHFFFAOYSA-N
XLogP3.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326930
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxypyridine-2,5-diamine
CID 62365052
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-2,4-diamine
CID 102556283
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326
6-(1,3-benzothiazol-6-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-methylpyrimidin-4-amine
CID 70976748
4-N-(3,4-dihydro-2H-chromen-4-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80827118
2-[5-[6-(3,4-dihydro-2H-chromen-4-ylamino)-2-methylpyrimidin-4-yl]-2-methylanilino]acetonitrile
CID 123991959
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80827015
2-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-4-carbonitrile
CID 83077158
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrazin-2-amine
CID 94158654
6-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,6-diamine
CID 80647627
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine (CID 66326094) is N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine is CCOc1cc(NC2CCOc3ccccc32)nc(C)n1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
The InChIKey is ZOYYTAKUFJUFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-20-16-10-15(17-11(2)18-16)19-13-8-9-21-14-7-5-4-6-12(13)14/h4-7,10,13H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66326094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).