N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine

C15H23N5 — CID 77084406

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine
SMILESCCn1ccnc1CN(C)Cc1cnc(C(C)C)nc1
InChIInChI=1S/C15H23N5/c1-5-20-7-6-16-14(20)11-19(4)10-13-8-17-15(12(2)3)18-9-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyORLMLHGKBDOQRU-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.45
Rot. Bonds6

About N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine

N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine (PubChem CID 77084406) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine
PubChem CID77084406
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine
SMILESCCn1ccnc1CN(C)Cc1cnc(C(C)C)nc1
InChIInChI=1S/C15H23N5/c1-5-20-7-6-16-14(20)11-19(4)10-13-8-17-15(12(2)3)18-9-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyORLMLHGKBDOQRU-UHFFFAOYSA-N
XLogP2.45
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine (CID 77084406) is N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine is CCn1ccnc1CN(C)Cc1cnc(C(C)C)nc1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine?
The InChIKey is ORLMLHGKBDOQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-5-20-7-6-16-14(20)11-19(4)10-13-8-17-15(12(2)3)18-9-13/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine?
N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1-(2-propan-2-ylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 77084406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).