5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine

C10H12ClN5 — CID 80857792

IUPAC5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine
SMILESCCc1nccn1-c1nc(NC)ncc1Cl
InChIInChI=1S/C10H12ClN5/c1-3-8-13-4-5-16(8)9-7(11)6-14-10(12-2)15-9/h4-6H,3H2,1-2H3,(H,12,14,15)
InChIKeyDBURVSVYTYXWAP-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.92
Rot. Bonds3

About 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine

5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 80857792) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine
PubChem CID80857792
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine
SMILESCCc1nccn1-c1nc(NC)ncc1Cl
InChIInChI=1S/C10H12ClN5/c1-3-8-13-4-5-16(8)9-7(11)6-14-10(12-2)15-9/h4-6H,3H2,1-2H3,(H,12,14,15)
InChIKeyDBURVSVYTYXWAP-UHFFFAOYSA-N
XLogP1.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)-N-methylpyrimidin-2-amine
CID 80867774
4-(2-ethylimidazol-1-yl)-5-methyl-N-propylpyrimidin-2-amine
CID 80857358
4-(4-butan-2-ylpiperazin-1-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80833659
[5-chloro-6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanol
CID 61404987
5-chloro-N-methyl-4-piperidin-1-ylpyrimidin-2-amine
CID 80764655
[1-(5-chloro-2-methoxypyrimidin-4-yl)imidazol-2-yl]methanamine
CID 80751910
6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine
CID 115474382
4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine
CID 80854084
[5-chloro-4-(3,5-diethyl-1,2,4-triazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80904057
4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine
CID 63730231
6-ethyl-N-methyl-4-(2-propylimidazol-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103331127
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine (CID 80857792) is 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine is CCc1nccn1-c1nc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is DBURVSVYTYXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-3-8-13-4-5-16(8)9-7(11)6-14-10(12-2)15-9/h4-6H,3H2,1-2H3,(H,12,14,15).
What are the key properties of 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine?
5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-ethylimidazol-1-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80857792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).