N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine

C14H16BrN3 — CID 62491898

IUPACN-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1ccccc1Br
InChIInChI=1S/C14H16BrN3/c1-2-7-18-14(11-8-16-10-17-9-11)12-5-3-4-6-13(12)15/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyNZSCFRDDRVIPLF-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.33
Rot. Bonds5

About N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine

N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine (PubChem CID 62491898) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
PubChem CID62491898
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC NameN-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1cncnc1)c1ccccc1Br
InChIInChI=1S/C14H16BrN3/c1-2-7-18-14(11-8-16-10-17-9-11)12-5-3-4-6-13(12)15/h3-6,8-10,14,18H,2,7H2,1H3
InChIKeyNZSCFRDDRVIPLF-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromophenyl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 115374411
N-[(2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 63085577
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[isoquinolin-8-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 103137707
N-[(2-bromophenyl)-(3,4-dichlorophenyl)methyl]propan-1-amine
CID 43497591
N-[(2,3-dichlorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 115827211
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106691644
N-[(2,3-dimethoxyphenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 105118919
N-[pyridin-4-yl(pyrimidin-5-yl)methyl]propan-1-amine
CID 62491202
N-[(3-bromo-2-fluorophenyl)-(2-bromophenyl)methyl]propan-1-amine
CID 106645447
N-[pyrimidin-5-yl(quinoxalin-2-yl)methyl]propan-1-amine
CID 107356998
N-[(5-chloro-2-fluorophenyl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 114886567

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine (CID 62491898) is N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine is CCCNC(c1cncnc1)c1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
The InChIKey is NZSCFRDDRVIPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-7-18-14(11-8-16-10-17-9-11)12-5-3-4-6-13(12)15/h3-6,8-10,14,18H,2,7H2,1H3.
What are the key properties of N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine?
N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine has a molecular weight of 306.21 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)-pyrimidin-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 62491898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).