2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine

C10H11ClFN5 — CID 59728220

IUPAC2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1cnc[nH]1)c1nc(Cl)ncc1F
InChIInChI=1S/C10H11ClFN5/c1-2-17(5-7-3-13-6-15-7)9-8(12)4-14-10(11)16-9/h3-4,6H,2,5H2,1H3,(H,13,15)
InChIKeyXAHDSDZOFJJDIG-UHFFFAOYSA-N
MW255.68 g/mol
LogP2.02
Rot. Bonds4

About 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine

2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine (PubChem CID 59728220) has the molecular formula C10H11ClFN5 and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
PubChem CID59728220
Molecular FormulaC10H11ClFN5
Molecular Weight255.68 g/mol
Exact Mass255.07
IUPAC Name2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1cnc[nH]1)c1nc(Cl)ncc1F
InChIInChI=1S/C10H11ClFN5/c1-2-17(5-7-3-13-6-15-7)9-8(12)4-14-10(11)16-9/h3-4,6H,2,5H2,1H3,(H,13,15)
InChIKeyXAHDSDZOFJJDIG-UHFFFAOYSA-N
XLogP2.02
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylpyrimidin-2-amine
CID 59728203
Dimethylaminopurine
CID 4312426
2-Methyl-9H-purine
CID 70279
4,6-dichloro-N-ethyl-N-(1H-imidazol-5-ylmethyl)pyrimidin-2-amine
CID 24945908
1H-Purin-8-amine, N,N-dimethyl-
CID 231431
1-[(1H-Imidazol-4-yl)methyl]piperazine
CID 9793928
[5-(1H-imidazol-2-yl)pyrimidin-2-yl]methanamine
CID 177798164
2-[5-(1H-imidazol-2-yl)pyrimidin-2-yl]ethanamine
CID 177801207
Propylpurine
CID 18353372
Isopropyl purine
CID 18473604
Methylaminochlorpurin
CID 20781937
2-Ethylaminopurine
CID 21218789

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine (CID 59728220) is 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine is CCN(Cc1cnc[nH]1)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine?
The InChIKey is XAHDSDZOFJJDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN5/c1-2-17(5-7-3-13-6-15-7)9-8(12)4-14-10(11)16-9/h3-4,6H,2,5H2,1H3,(H,13,15).
What are the key properties of 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine?
2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine has a molecular weight of 255.68 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-5-fluoro-N-(1H-imidazol-5-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 59728220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).