2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine

C16H19N3O — CID 65406387

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(C2COc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O/c1-2-8-17-15-7-9-18-16(19-15)13-10-12-5-3-4-6-14(12)20-11-13/h3-7,9,13H,2,8,10-11H2,1H3,(H,17,18,19)
InChIKeyUVVXXXFIIBTOLF-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.02
Rot. Bonds4

About 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine

2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine (PubChem CID 65406387) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine
PubChem CID65406387
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1ccnc(C2COc3ccccc3C2)n1
InChIInChI=1S/C16H19N3O/c1-2-8-17-15-7-9-18-16(19-15)13-10-12-5-3-4-6-14(12)20-11-13/h3-7,9,13H,2,8,10-11H2,1H3,(H,17,18,19)
InChIKeyUVVXXXFIIBTOLF-UHFFFAOYSA-N
XLogP3.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 65403467
N-[[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65405832
2-[3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 65412681
2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65405035
(1S)-1-[2-(3,4-dihydro-2H-chromen-3-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431535
4-chloro-2-(3,4-dihydro-2H-chromen-3-yl)-6-ethyl-5-methylpyrimidine
CID 65407928
(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
5-bromo-3-(3,4-dihydro-2H-chromen-3-yl)-1,2,4-thiadiazole
CID 102618251
2-(3,4-dihydro-2H-chromen-3-yl)-6-methylpyrimidin-4-amine
CID 65406183
1-[2-(3,4-dihydro-2H-chromen-3-yl)pyrimidin-5-yl]propan-2-amine
CID 65405840

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine (CID 65406387) is 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine is CCCNc1ccnc(C2COc3ccccc3C2)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine?
The InChIKey is UVVXXXFIIBTOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-8-17-15-7-9-18-16(19-15)13-10-12-5-3-4-6-14(12)20-11-13/h3-7,9,13H,2,8,10-11H2,1H3,(H,17,18,19).
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine?
2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-3-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 65406387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).