N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine

C20H23N5 — CID 155460751

IUPACN-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2ccc(-n3cnc(C4CC4)c3)cc2)nc(C)n1
InChIInChI=1S/C20H23N5/c1-13-10-20(24-15(3)22-13)23-14(2)16-6-8-18(9-7-16)25-11-19(21-12-25)17-4-5-17/h6-12,14,17H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyQTGWKJNIRGCYAG-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.33
Rot. Bonds5

About N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine

N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 155460751) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID155460751
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC NameN-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2ccc(-n3cnc(C4CC4)c3)cc2)nc(C)n1
InChIInChI=1S/C20H23N5/c1-13-10-20(24-15(3)22-13)23-14(2)16-6-8-18(9-7-16)25-11-19(21-12-25)17-4-5-17/h6-12,14,17H,4-5H2,1-3H3,(H,22,23,24)
InChIKeyQTGWKJNIRGCYAG-UHFFFAOYSA-N
XLogP4.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine (CID 155460751) is N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NC(C)c2ccc(-n3cnc(C4CC4)c3)cc2)nc(C)n1.
What is the InChIKey of N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is QTGWKJNIRGCYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-13-10-20(24-15(3)22-13)23-14(2)16-6-8-18(9-7-16)25-11-19(21-12-25)17-4-5-17/h6-12,14,17H,4-5H2,1-3H3,(H,22,23,24).
What are the key properties of N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine?
N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 333.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-cyclopropylimidazol-1-yl)phenyl]ethyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 155460751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).