N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine

C24H24N6 — CID 121405389

IUPACN,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
SMILESc1ccc(-c2ncc(CNCCNCc3cnc(-c4ccccc4)nc3)cn2)cc1
InChIInChI=1S/C24H24N6/c1-3-7-21(8-4-1)23-27-15-19(16-28-23)13-25-11-12-26-14-20-17-29-24(30-18-20)22-9-5-2-6-10-22/h1-10,15-18,25-26H,11-14H2
InChIKeyRLNGFSXZXLJLPR-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.48
Rot. Bonds9

About N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine

N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine (PubChem CID 121405389) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
PubChem CID121405389
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC NameN,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine
SMILESc1ccc(-c2ncc(CNCCNCc3cnc(-c4ccccc4)nc3)cn2)cc1
InChIInChI=1S/C24H24N6/c1-3-7-21(8-4-1)23-27-15-19(16-28-23)13-25-11-12-26-14-20-17-29-24(30-18-20)22-9-5-2-6-10-22/h1-10,15-18,25-26H,11-14H2
InChIKeyRLNGFSXZXLJLPR-UHFFFAOYSA-N
XLogP3.48
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[(2-phenylpyrimidin-5-yl)methyl]methanamine;hydrochloride
CID 132893916
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
2-[(2-phenylpyrimidin-5-yl)methylamino]acetic acid
CID 91671167
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]propan-1-amine
CID 62756408
4-[5-(propylaminomethyl)pyrimidin-2-yl]phenol
CID 136889396
N-[[2-(4-ethylphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 55114017
2-phenyl-5-(pyridin-4-ylmethyl)pyrimidine
CID 57330080
N-[(2-pyrimidin-2-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 62756954
3-(2-phenylpyrimidin-5-yl)propan-1-amine
CID 83886057
N-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine
CID 46990087
2-[(2-phenylpyrimidin-5-yl)methylamino]hexanoic acid
CID 91671248
5-bromo-2-phenylpyrimidine
CID 14387745

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine (CID 121405389) is N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine is c1ccc(-c2ncc(CNCCNCc3cnc(-c4ccccc4)nc3)cn2)cc1.
What is the InChIKey of N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine?
The InChIKey is RLNGFSXZXLJLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-3-7-21(8-4-1)23-27-15-19(16-28-23)13-25-11-12-26-14-20-17-29-24(30-18-20)22-9-5-2-6-10-22/h1-10,15-18,25-26H,11-14H2.
What are the key properties of N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine?
N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine has a molecular weight of 396.50 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(2-phenylpyrimidin-5-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 121405389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).