5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine

C10H12ClN5 — CID 79556038

IUPAC5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCn1ccnc1CCNc1ncc(Cl)cn1
InChIInChI=1S/C10H12ClN5/c1-16-5-4-12-9(16)2-3-13-10-14-6-8(11)7-15-10/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyVIYSPOOFQURWLG-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.52
Rot. Bonds4

About 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine

5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 79556038) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
PubChem CID79556038
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
SMILESCn1ccnc1CCNc1ncc(Cl)cn1
InChIInChI=1S/C10H12ClN5/c1-16-5-4-12-9(16)2-3-13-10-14-6-8(11)7-15-10/h4-7H,2-3H2,1H3,(H,13,14,15)
InChIKeyVIYSPOOFQURWLG-UHFFFAOYSA-N
XLogP1.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62870794
5-chloro-4-N-[2-(1-methylimidazol-2-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80816975
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]pyrimidine-5-carboxylic acid
CID 83182047
4-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527511
3-chloro-2-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2,5-diamine
CID 114046189
4-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863973
2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527755
5,6-diethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazin-3-amine
CID 105362496
3,5,6-trichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 102750907
6-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 63587851
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]pyridin-2-amine
CID 61210542

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine (CID 79556038) is 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine is Cn1ccnc1CCNc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is VIYSPOOFQURWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-16-5-4-12-9(16)2-3-13-10-14-6-8(11)7-15-10/h4-7H,2-3H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine?
5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 79556038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).