6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine

C16H18ClN3O — CID 63728697

IUPAC6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC1CCOc2ccccc21
InChIInChI=1S/C16H18ClN3O/c1-2-5-12-15(17)18-10-19-16(12)20-13-8-9-21-14-7-4-3-6-11(13)14/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H,18,19,20)
InChIKeyUYCHINMEWDOMHI-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.02
Rot. Bonds4

About 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine

6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine (PubChem CID 63728697) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine
PubChem CID63728697
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine
SMILESCCCc1c(Cl)ncnc1NC1CCOc2ccccc21
InChIInChI=1S/C16H18ClN3O/c1-2-5-12-15(17)18-10-19-16(12)20-13-8-9-21-14-7-4-3-6-11(13)14/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H,18,19,20)
InChIKeyUYCHINMEWDOMHI-UHFFFAOYSA-N
XLogP4.02
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,3-dihydro-1-benzofuran-3-yl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80836114
4-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80801156
6-chloro-N-(2,2-dimethyloxan-4-yl)-5-propylpyrimidin-4-amine
CID 83028527
2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 62366962
6-chloro-2-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2,3-diamine
CID 115474076
N-(6-chloro-5-propylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 55229488
6-N-(3,4-dihydro-2H-chromen-4-yl)-2-N-propylpyridine-2,6-diamine
CID 80801326
6-chloro-N-cyclopropyl-5-ethylpyrimidin-4-amine
CID 63734410
6-chloro-N-(oxan-2-ylmethyl)-5-propylpyrimidin-4-amine
CID 55228553
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)pyridin-2-amine
CID 55027626
5-chloro-6-(3,4-dihydro-2H-chromen-4-ylamino)pyridine-3-carboxylic acid
CID 62366449
6-chloro-N-[2-(2-methoxyethyl)phenyl]-5-propylpyrimidin-4-amine
CID 102907328

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine (CID 63728697) is 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine is CCCc1c(Cl)ncnc1NC1CCOc2ccccc21.
What is the InChIKey of 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine?
The InChIKey is UYCHINMEWDOMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-2-5-12-15(17)18-10-19-16(12)20-13-8-9-21-14-7-4-3-6-11(13)14/h3-4,6-7,10,13H,2,5,8-9H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine?
6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-propylpyrimidin-4-amine is sourced from PubChem (CID 63728697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).