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

C17H21N3O — CID 65405832

IUPACN-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2COc3ccccc3C2)nc1
InChIInChI=1S/C17H21N3O/c1-2-7-18-9-13-10-19-17(20-11-13)15-8-14-5-3-4-6-16(14)21-12-15/h3-6,10-11,15,18H,2,7-9,12H2,1H3
InChIKeyFNFYVTKPQOKPGW-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.69
Rot. Bonds5

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

N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (PubChem CID 65405832) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
PubChem CID65405832
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(C2COc3ccccc3C2)nc1
InChIInChI=1S/C17H21N3O/c1-2-7-18-9-13-10-19-17(20-11-13)15-8-14-5-3-4-6-16(14)21-12-15/h3-6,10-11,15,18H,2,7-9,12H2,1H3
InChIKeyFNFYVTKPQOKPGW-UHFFFAOYSA-N
XLogP2.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65406026
1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65405840
2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine
CID 65406387
N-[[2-(oxolan-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65329120
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
CID 65407928
2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65405035
N-[[2-(2,3-dihydro-1H-inden-2-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65403495
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
2-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 65412681
2-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81066199
N-[[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 65412889
N-[[2-(2,3-dihydro-1H-inden-2-yl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 65405264

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine (CID 65405832) is N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is CCCNCc1cnc(C2COc3ccccc3C2)nc1.
What is the InChIKey of N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
The InChIKey is FNFYVTKPQOKPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-2-7-18-9-13-10-19-17(20-11-13)15-8-14-5-3-4-6-16(14)21-12-15/h3-6,10-11,15,18H,2,7-9,12H2,1H3.
What are the key properties of N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine?
N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 65405832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).