1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine

C16H19N3O — CID 65405840

IUPAC1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2COc3ccccc3C2)nc1
InChIInChI=1S/C16H19N3O/c1-11(17)6-12-8-18-16(19-9-12)14-7-13-4-2-3-5-15(13)20-10-14/h2-5,8-9,11,14H,6-7,10,17H2,1H3
InChIKeyCMJGDIOAPANPPB-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.09
Rot. Bonds3

About 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine

1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine (PubChem CID 65405840) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
PubChem CID65405840
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
SMILESCC(N)Cc1cnc(C2COc3ccccc3C2)nc1
InChIInChI=1S/C16H19N3O/c1-11(17)6-12-8-18-16(19-9-12)14-7-13-4-2-3-5-15(13)20-10-14/h2-5,8-9,11,14H,6-7,10,17H2,1H3
InChIKeyCMJGDIOAPANPPB-UHFFFAOYSA-N
XLogP2.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65405832
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 65412686
(1R)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904201
(1S)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900174
(1S)-1-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899509
2-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81066199
N-[[2-(3,4-dihydro-2H-chromen-3-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 65405457
4-amino-2-(3,4-dihydro-2H-chromen-3-yl)pyrimidine-5-carboxamide
CID 116647896
N-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 65412889
2-(3,4-dihydro-2H-chromen-3-yl)-6-methylpyrimidin-4-amine
CID 65406183
[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methanamine
CID 65404660

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine?
The IUPAC name of 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine (CID 65405840) is 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine is CC(N)Cc1cnc(C2COc3ccccc3C2)nc1.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine?
The InChIKey is CMJGDIOAPANPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11(17)6-12-8-18-16(19-9-12)14-7-13-4-2-3-5-15(13)20-10-14/h2-5,8-9,11,14H,6-7,10,17H2,1H3.
What are the key properties of 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine?
1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine has a molecular weight of 269.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine is sourced from PubChem (CID 65405840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).