4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine

C15H13Cl2N5 — CID 2766552

IUPAC4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccnc(N)n2)cn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21)
InChIKeyCKSSZTMRRVJNNG-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.59
Rot. Bonds3

About 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine

4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine (PubChem CID 2766552) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine
PubChem CID2766552
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccnc(N)n2)cn1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21)
InChIKeyCKSSZTMRRVJNNG-UHFFFAOYSA-N
XLogP3.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine (CID 2766552) is 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine is Cc1nc(-c2ccnc(N)n2)cn1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine?
The InChIKey is CKSSZTMRRVJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N5/c1-9-20-14(13-5-6-19-15(18)21-13)8-22(9)7-10-11(16)3-2-4-12(10)17/h2-6,8H,7H2,1H3,(H2,18,19,21).
What are the key properties of 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine?
4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine has a molecular weight of 334.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2,6-dichlorophenyl)methyl]-2-methylimidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 2766552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).