6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

C15H22N6O — CID 50980561

IUPAC6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2ncc[nH]2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H22N6O/c1-3-12-10-14(20(2)11-13-16-4-5-17-13)19-15(18-12)21-6-8-22-9-7-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,17)
InChIKeyHKRQFHXWAABQCO-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.24
Rot. Bonds5

About 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine

6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 50980561) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID50980561
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cc(N(C)Cc2ncc[nH]2)nc(N2CCOCC2)n1
InChIInChI=1S/C15H22N6O/c1-3-12-10-14(20(2)11-13-16-4-5-17-13)19-15(18-12)21-6-8-22-9-7-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,17)
InChIKeyHKRQFHXWAABQCO-UHFFFAOYSA-N
XLogP1.24
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 50980561) is 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is CCc1cc(N(C)Cc2ncc[nH]2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is HKRQFHXWAABQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-3-12-10-14(20(2)11-13-16-4-5-17-13)19-15(18-12)21-6-8-22-9-7-21/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,17).
What are the key properties of 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine?
6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 302.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(1H-imidazol-2-ylmethyl)-N-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 50980561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).