(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine

C16H19N3O — CID 103431983

IUPAC(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(C2CCOc3ccccc32)ncc1[C@H](C)N
InChIInChI=1S/C16H19N3O/c1-10(17)14-9-18-16(19-11(14)2)13-7-8-20-15-6-4-3-5-12(13)15/h3-6,9-10,13H,7-8,17H2,1-2H3/t10-,13?/m0/s1
InChIKeyDBDLZBZVNGDRHA-NKUHCKNESA-N
MW269.35 g/mol
LogP2.72
Rot. Bonds2

About (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine

(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 103431983) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID103431983
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(C2CCOc3ccccc32)ncc1[C@H](C)N
InChIInChI=1S/C16H19N3O/c1-10(17)14-9-18-16(19-11(14)2)13-7-8-20-15-6-4-3-5-12(13)15/h3-6,9-10,13H,7-8,17H2,1-2H3/t10-,13?/m0/s1
InChIKeyDBDLZBZVNGDRHA-NKUHCKNESA-N
XLogP2.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-chloroethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidine
CID 65406034
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65405097
1-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 65351695
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazol-3-yl]ethanamine
CID 65404677
4-amino-2-(3,4-dihydro-2H-chromen-4-yl)-6-methylpyrimidine-5-carboxylic acid
CID 116647303
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
1-[5-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-3-yl]-2-methylpropan-1-amine
CID 63710487
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
3-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65404496
1-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 65415516
3-cyclopropyl-5-(3,4-dihydro-2H-chromen-4-yl)-1H-1,2,4-triazole
CID 55227631
5-bromo-2-(3,4-dihydro-2H-chromen-4-yl)-6-ethylpyrimidin-4-amine
CID 66298443

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine (CID 103431983) is (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine is Cc1nc(C2CCOc3ccccc32)ncc1[C@H](C)N.
What is the InChIKey of (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is DBDLZBZVNGDRHA-NKUHCKNESA-N. The full InChI is InChI=1S/C16H19N3O/c1-10(17)14-9-18-16(19-11(14)2)13-7-8-20-15-6-4-3-5-12(13)15/h3-6,9-10,13H,7-8,17H2,1-2H3/t10-,13?/m0/s1.
What are the key properties of (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine?
(1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 269.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 103431983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).