N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine

C13H15BrN4 — CID 117224357

IUPACN'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4/c14-11-3-1-10(2-4-11)9-12-5-7-16-13(18-12)17-8-6-15/h1-5,7H,6,8-9,15H2,(H,16,17,18)
InChIKeyMMCCINMZRRZWEX-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.20
Rot. Bonds5

About N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine

N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 117224357) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID117224357
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC NameN'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine
SMILESNCCNc1nccc(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4/c14-11-3-1-10(2-4-11)9-12-5-7-16-13(18-12)17-8-6-15/h1-5,7H,6,8-9,15H2,(H,16,17,18)
InChIKeyMMCCINMZRRZWEX-UHFFFAOYSA-N
XLogP2.20
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[4-[(4-fluorophenyl)methyl]pyrimidin-2-yl]propane-1,3-diamine
CID 117224403
N'-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 107355309
N'-[4-[(3-chlorophenyl)methyl]pyrimidin-2-yl]propane-1,3-diamine
CID 117224392
N'-(4-bromopyrimidin-2-yl)propane-1,3-diamine
CID 117224384
N-propyl-4-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 104737154
4-(aminomethyl)-N-(2-methoxyethyl)pyrimidin-2-amine
CID 107541939
4-[[4-(aminomethyl)phenyl]methyl]pyrimidin-2-amine
CID 67521020
1-[2-[(4-bromophenyl)methyl]pyrimidin-4-yl]-N-methylmethanamine
CID 62748086
[4-[(4-bromophenyl)methyl]phenyl]methanamine
CID 83744886
2-N-(2-aminoethyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 121204907
N'-(6-bromoisoquinolin-1-yl)ethane-1,2-diamine
CID 82571209
4-[(3,4-dimethoxyphenyl)methyl]-N-ethylpyrimidin-2-amine
CID 142928408

Frequently Asked Questions

What is the IUPAC name of N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine (CID 117224357) is N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine is NCCNc1nccc(Cc2ccc(Br)cc2)n1.
What is the InChIKey of N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is MMCCINMZRRZWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c14-11-3-1-10(2-4-11)9-12-5-7-16-13(18-12)17-8-6-15/h1-5,7H,6,8-9,15H2,(H,16,17,18).
What are the key properties of N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine?
N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 307.19 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 117224357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).