2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine

C9H9Cl2N5 — CID 106196590

IUPAC2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Cl)c1ncc[nH]1
InChIInChI=1S/C9H9Cl2N5/c1-5(7-12-2-3-13-7)15-8-6(10)4-14-9(11)16-8/h2-5H,1H3,(H,12,13)(H,14,15,16)
InChIKeyFATJBVULOYCZTD-UHFFFAOYSA-N
MW258.11 g/mol
LogP2.68
Rot. Bonds3

About 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine

2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 106196590) has the molecular formula C9H9Cl2N5 and a molecular weight of 258.11 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID106196590
Molecular FormulaC9H9Cl2N5
Molecular Weight258.11 g/mol
Exact Mass257.02
IUPAC Name2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Cl)c1ncc[nH]1
InChIInChI=1S/C9H9Cl2N5/c1-5(7-12-2-3-13-7)15-8-6(10)4-14-9(11)16-8/h2-5H,1H3,(H,12,13)(H,14,15,16)
InChIKeyFATJBVULOYCZTD-UHFFFAOYSA-N
XLogP2.68
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 106196599
5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
CID 130934961
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
2,5-dichloro-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 79632615
2,5-dichloro-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 79632585
2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline
CID 106891698
methyl 2-[(2,5-dichloropyrimidin-4-yl)amino]propanoate
CID 79632906
1-[1-(1H-imidazol-2-yl)ethylamino]isoquinolin-7-ol
CID 106539816
6-chloro-2-cyclopropyl-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 107257730
6-chloro-N-[1-(1H-imidazol-2-yl)ethyl]-2-propylpyrimidin-4-amine
CID 114156857
4-N-(2,5-dichloropyrimidin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79633492
5-bromo-N-[1-(1H-imidazol-2-yl)ethyl]-4-methoxypyrimidin-2-amine
CID 106997926

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine (CID 106196590) is 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine is CC(Nc1nc(Cl)ncc1Cl)c1ncc[nH]1.
What is the InChIKey of 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is FATJBVULOYCZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2N5/c1-5(7-12-2-3-13-7)15-8-6(10)4-14-9(11)16-8/h2-5H,1H3,(H,12,13)(H,14,15,16).
What are the key properties of 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine?
2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 258.11 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106196590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).