1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine

C20H31N7O — CID 72935813

IUPAC1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3nc[nH]c3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H31N7O/c1-3-16-12-19(25-20(24-16)27-8-10-28-11-9-27)26-6-4-17(5-7-26)21-13-18-15(2)22-14-23-18/h12,14,17,21H,3-11,13H2,1-2H3,(H,22,23)
InChIKeyVMAWKQGYWVNLEE-UHFFFAOYSA-N
MW385.52 g/mol
LogP1.67
Rot. Bonds6

About 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine

1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine (PubChem CID 72935813) has the molecular formula C20H31N7O and a molecular weight of 385.52 g/mol. Its IUPAC name is 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
PubChem CID72935813
Molecular FormulaC20H31N7O
Molecular Weight385.52 g/mol
Exact Mass385.26
IUPAC Name1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3nc[nH]c3C)CC2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H31N7O/c1-3-16-12-19(25-20(24-16)27-8-10-28-11-9-27)26-6-4-17(5-7-26)21-13-18-15(2)22-14-23-18/h12,14,17,21H,3-11,13H2,1-2H3,(H,22,23)
InChIKeyVMAWKQGYWVNLEE-UHFFFAOYSA-N
XLogP1.67
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine (CID 72935813) is 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine is CCc1cc(N2CCC(NCc3nc[nH]c3C)CC2)nc(N2CCOCC2)n1.
What is the InChIKey of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is VMAWKQGYWVNLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7O/c1-3-16-12-19(25-20(24-16)27-8-10-28-11-9-27)26-6-4-17(5-7-26)21-13-18-15(2)22-14-23-18/h12,14,17,21H,3-11,13H2,1-2H3,(H,22,23).
What are the key properties of 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine?
1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 385.52 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 72935813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).