[1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone

C19H20N6O2 — CID 171356284

IUPAC[1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnn(-c2cc(NCc3ccccc3)ncn2)c1)N1CCOCC1
InChIInChI=1S/C19H20N6O2/c26-19(24-6-8-27-9-7-24)16-12-23-25(13-16)18-10-17(21-14-22-18)20-11-15-4-2-1-3-5-15/h1-5,10,12-14H,6-9,11H2,(H,20,21,22)
InChIKeySNVYCSHDZVNWFI-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.75
Rot. Bonds5

About [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone

[1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 171356284) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID171356284
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name[1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnn(-c2cc(NCc3ccccc3)ncn2)c1)N1CCOCC1
InChIInChI=1S/C19H20N6O2/c26-19(24-6-8-27-9-7-24)16-12-23-25(13-16)18-10-17(21-14-22-18)20-11-15-4-2-1-3-5-15/h1-5,10,12-14H,6-9,11H2,(H,20,21,22)
InChIKeySNVYCSHDZVNWFI-UHFFFAOYSA-N
XLogP1.75
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(benzylamino)pyrimidin-4-yl]-N-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 171358486
morpholin-4-yl-[2-[2-(1-phenylpyrazol-4-yl)ethylamino]-4-pyridinyl]methanone
CID 134698833
[6-[(4-fluorophenyl)methylamino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343536
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
6-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
CID 112857039
N-(6-morpholin-4-ylpyrimidin-4-yl)-3-phenylpropanamide
CID 90544169
1-[1-[6-(benzylamino)pyrimidin-4-yl]piperidin-4-yl]-2,2,2-trifluoroethanone
CID 166248370
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
N-[(4-methylphenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859172
morpholin-4-yl-[4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]methanone
CID 33383192
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858393
N-[(4-fluorophenyl)methyl]-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859720

Frequently Asked Questions

What is the IUPAC name of [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone (CID 171356284) is [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cnn(-c2cc(NCc3ccccc3)ncn2)c1)N1CCOCC1.
What is the InChIKey of [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is SNVYCSHDZVNWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-19(24-6-8-27-9-7-24)16-12-23-25(13-16)18-10-17(21-14-22-18)20-11-15-4-2-1-3-5-15/h1-5,10,12-14H,6-9,11H2,(H,20,21,22).
What are the key properties of [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone?
[1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 364.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(benzylamino)pyrimidin-4-yl]pyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 171356284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).