N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide

C19H22N4O2 — CID 70714984

IUPACN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCc1cc(N2CCOCC2)ncn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22N4O2/c24-19(16-5-4-14-2-1-3-15(14)10-16)20-12-17-11-18(22-13-21-17)23-6-8-25-9-7-23/h4-5,10-11,13H,1-3,6-9,12H2,(H,20,24)
InChIKeyXHZUOWRPDGGHSH-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.73
Rot. Bonds4

About N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 70714984) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID70714984
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCc1cc(N2CCOCC2)ncn1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H22N4O2/c24-19(16-5-4-14-2-1-3-15(14)10-16)20-12-17-11-18(22-13-21-17)23-6-8-25-9-7-23/h4-5,10-11,13H,1-3,6-9,12H2,(H,20,24)
InChIKeyXHZUOWRPDGGHSH-UHFFFAOYSA-N
XLogP1.73
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 70714984) is N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCc1cc(N2CCOCC2)ncn1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is XHZUOWRPDGGHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19(16-5-4-14-2-1-3-15(14)10-16)20-12-17-11-18(22-13-21-17)23-6-8-25-9-7-23/h4-5,10-11,13H,1-3,6-9,12H2,(H,20,24).
What are the key properties of N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 70714984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).