chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine

C14H14ClN5 — CID 174420161

IUPACchlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine
SMILESClc1ccccc1.Cn1cncc1-c1ccnc(N)n1
InChIInChI=1S/C8H9N5.C6H5Cl/c1-13-5-10-4-7(13)6-2-3-11-8(9)12-6;7-6-4-2-1-3-5-6/h2-5H,1H3,(H2,9,11,12);1-5H
InChIKeyFSKFQVRTJCKVPT-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.80
Rot. Bonds1

About chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine

chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine (PubChem CID 174420161) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Namechlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine
PubChem CID174420161
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Namechlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine
SMILESClc1ccccc1.Cn1cncc1-c1ccnc(N)n1
InChIInChI=1S/C8H9N5.C6H5Cl/c1-13-5-10-4-7(13)6-2-3-11-8(9)12-6;7-6-4-2-1-3-5-6/h2-5H,1H3,(H2,9,11,12);1-5H
InChIKeyFSKFQVRTJCKVPT-UHFFFAOYSA-N
XLogP2.80
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine?
The IUPAC name of chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine (CID 174420161) is chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine is Clc1ccccc1.Cn1cncc1-c1ccnc(N)n1.
What is the InChIKey of chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine?
The InChIKey is FSKFQVRTJCKVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5.C6H5Cl/c1-13-5-10-4-7(13)6-2-3-11-8(9)12-6;7-6-4-2-1-3-5-6/h2-5H,1H3,(H2,9,11,12);1-5H.
What are the key properties of chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine?
chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine has a molecular weight of 287.75 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;4-(3-methylimidazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 174420161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).