N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine

C14H15Cl2N3 — CID 115827211

IUPACN-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3/c1-2-6-19-14(10-7-17-9-18-8-10)11-4-3-5-12(15)13(11)16/h3-5,7-9,14,19H,2,6H2,1H3
InChIKeyHHQFFJWGFGHHMM-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.87
Rot. Bonds5

About N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 115827211) has the molecular formula C14H15Cl2N3 and a molecular weight of 296.20 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID115827211
Molecular FormulaC14H15Cl2N3
Molecular Weight296.20 g/mol
Exact Mass295.06
IUPAC NameN-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3/c1-2-6-19-14(10-7-17-9-18-8-10)11-4-3-5-12(15)13(11)16/h3-5,7-9,14,19H,2,6H2,1H3
InChIKeyHHQFFJWGFGHHMM-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dichlorophenyl)-pyridin-3-ylmethyl]propan-1-amine
CID 62791362
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
1-(2,3-dichlorophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 115827336
N-[(2,3-dichlorophenyl)-(4-methylsulfanylphenyl)methyl]propan-1-amine
CID 115851242
N-[(3-chloro-4-pyridinyl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141874
N-[(2-chloro-5-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923966
N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105118919
N-[(4-chlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 62489847
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-[(2,3-dichlorophenyl)-pyrimidin-4-ylmethyl]propan-1-amine
CID 63987505
N-[(5-bromothiophen-3-yl)-(2,3-dichlorophenyl)methyl]propan-1-amine
CID 105141905
N-[(2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63085577

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 115827211) is N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is HHQFFJWGFGHHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3/c1-2-6-19-14(10-7-17-9-18-8-10)11-4-3-5-12(15)13(11)16/h3-5,7-9,14,19H,2,6H2,1H3.
What are the key properties of N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 296.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 115827211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).